NPASS Compound

Structure

CID231772 OpenBabel06191716032D 21 23 0 0 0 0 0 0 0 0999 V2000 -5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 4 1 0 0 0 0 2 9 2 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 11 2 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 15 2 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 11 20 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	284.07
Volume:	282.482
LogP:	3.645
LogD:	2.924
LogS:	-3.7
# Rotatable Bonds:	2
TPSA:	79.9
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	5

MedChem Properties

QED Drug-Likeness Score:	0.756
Synthetic Accessibility Score:	2.131
Fsp3:	0.062
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.834
MDCK Permeability:	1.2663627785514109e-05
Pgp-inhibitor:	0.004
Pgp-substrate:	0.971
Human Intestinal Absorption (HIA):	0.01
20% Bioavailability (F20%):	0.8
30% Bioavailability (F30%):	0.998

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.01
Plasma Protein Binding (PPB):	97.22940826416016%
Volume Distribution (VD):	0.625
Pgp-substrate:	4.920440196990967%

ADMET: Metabolism

CYP1A2-inhibitor:	0.984
CYP1A2-substrate:	0.86
CYP2C19-inhibitor:	0.902
CYP2C19-substrate:	0.061
CYP2C9-inhibitor:	0.757
CYP2C9-substrate:	0.949
CYP2D6-inhibitor:	0.835
CYP2D6-substrate:	0.913
CYP3A4-inhibitor:	0.818
CYP3A4-substrate:	0.183

ADMET: Excretion

Clearance (CL):	5.897
Half-life (T1/2):	0.696

ADMET: Toxicity

hERG Blockers:	0.061
Human Hepatotoxicity (H-HT):	0.091
Drug-inuced Liver Injury (DILI):	0.892
AMES Toxicity:	0.587
Rat Oral Acute Toxicity:	0.05
Maximum Recommended Daily Dose:	0.671
Skin Sensitization:	0.871
Carcinogencity:	0.213
Eye Corrosion:	0.007
Eye Irritation:	0.931
Respiratory Toxicity:	0.522

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs

Natural Product: NPC231772

Natural Product ID:	NPC231772
*Common Name:**	Acacetin
IUPAC Name:	5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Synonyms:	NSC-76061
Standard InCHIKey:	DANYIYRPLHHOCZ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
SMILES:	COc1ccc(cc1)c1cc(=O)c2c(cc(cc2o1)O)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL243664
PubChem CID:	5280442
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000334] Flavonoids [CHEMONTID:0002585] O-methylated flavonoids [CHEMONTID:0002596] 4'-O-methylated flavonoids

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO14367	Hypericum hirsutum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/BF00597593]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.1016/j.foodchem.2009.03.042]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1016/S0031-9422(00)94055-X]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1016/S0031-9422(01)00320-X]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.3136/fstr.15.499]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	flower	n.a.	DOI[10.3390/70200245]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.5897/AJB10.140]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.5897/AJB2010.000-3252]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.5897/JMPR.9000078]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[10336650]
NPO11577	Buddleja officinalis	Species	Scrophulariaceae	Eukaryota	flowers	bought from a drugstore in Beijing	n.a.	PMID[10514305]
NPO10304	Colletotrichum gloeosporioides	Species	Glomerellaceae	Eukaryota	Artemisia mongolica	n.a.	n.a.	PMID[11087599]
NPO129	Biebersteinia orphanidis	Species	Biebersteiniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11198823]
NPO3634	Robinia pseudoacacia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11551759]
NPO1033	Plectranthus nummularius	Species	Lamiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[11558608]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	leaf	n.a.	PMID[11738417]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11908994]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	flower	n.a.	PMID[12130858]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	fruits	n.a.	n.a.	PMID[12467621]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[12575075]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	stem	n.a.	PMID[12575075]
NPO11577	Buddleja officinalis	Species	Scrophulariaceae	Eukaryota	flower buds	n.a.	n.a.	PMID[14738377]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	Leaves and branches	Soorkesh Valley, Gollestan, Iran	n.a.	PMID[15104493]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	leaves	Soorkesh Valley, Gollestan, Iran	n.a.	PMID[15104493]
NPO3171	Menisporopsis theobromae	Species	n.a.	Eukaryota	n.a.	n.a.	n.a.	PMID[15104506]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[15577255]
NPO2804	Calophyllum inophyllum	Species	Calophyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15678383]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15679315]
NPO2804	Calophyllum inophyllum	Species	Calophyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16045947]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	root	n.a.	PMID[16212233]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16252923]
NPO11507	Entada africana	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16989528]
NPO4182	Hygrophorus chrysodon	Species	Hygrophoraceae	Eukaryota	fruiting bodies	n.a.	n.a.	PMID[17253868]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	PMID[17548953]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[17624889]
NPO8764	Laurencia decumbens	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17711344]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[1823989]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18611049]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18768384]
NPO8653	Leuconostoc mesenteroides	Species	Leuconostocaceae	Bacteria	n.a.	n.a.	n.a.	PMID[19025748]
NPO21139	Daphniphyllum calycinum	Species	Daphniphyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19099464]
NPO6715	Pseudostellaria heterophylla	Species	Caryophyllaceae	Eukaryota	n.a.	root	n.a.	PMID[19157126]
NPO17126	Callicarpa pilosissima	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19193025]
NPO32832	combretum caffrum	Species	Combretaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19228038]
NPO24671	Lycopodium japonicum	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19245240]
NPO15339	Artemisia afra	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19299148]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19476340]
NPO19475	Isodon sculponeatus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19697926]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19829679]
NPO13379	Schizanthus tricolor	Species	Solanaceae	Eukaryota	Aerial parts	n.a.	n.a.	PMID[20166702]
NPO2804	Calophyllum inophyllum	Species	Calophyllaceae	Eukaryota	n.a.	stem	n.a.	PMID[20188156]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[21087019]
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	n.a.	exocarp	n.a.	PMID[21114277]
NPO13379	Schizanthus tricolor	Species	Solanaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[21171571]
NPO3634	Robinia pseudoacacia	Species	Fabaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[21214467]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	fruit	n.a.	PMID[21462031]
NPO11577	Buddleja officinalis	Species	Scrophulariaceae	Eukaryota	flowers	n.a.	n.a.	PMID[21524582]
NPO6350	Spongia officinalis	Species	Spongiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[21548580]
NPO20096	Cirsium japonicum	Species	Asteraceae	Eukaryota	n.a.	whole plant	n.a.	PMID[21899269]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21912858]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[22111577]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	flower	n.a.	PMID[22166201]
NPO3829	Euphorbia myrsinites	Species	Euphorbiaceae	Eukaryota	n.a.	root	n.a.	PMID[22192329]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22314230]
NPO3123	Anthemis cretica	Species	Asteraceae	Eukaryota	n.a.	aerial part	n.a.	PMID[22351977]
NPO5813	Ligularia songarica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23043462]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	root bark	n.a.	n.a.	PMID[23282106]
NPO12721	Liriodendron tulipifera	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23501116]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23521110]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23790907]
NPO15315	Boswellia carterii	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24195447]
NPO8991	Carcinus maenas	Species	Carcinidae	Eukaryota	n.a.	n.a.	n.a.	PMID[2421673]
NPO19475	Isodon sculponeatus	Species	Lamiaceae	Eukaryota	aerial parts	Muli County, Sichuan Province, China	2011-AUG	PMID[24219809]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24617303]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	Tongxiang, China	n.a.	PMID[24621197]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	PMID[24675423]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Bako, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Enemore, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Gedo, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Holleta, Ethiopia		PMID[24926420]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24948953]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25564559]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25620156]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26099993]
NPO15315	Boswellia carterii	Species	Burseraceae	Eukaryota	Gum resin	n.a.	n.a.	PMID[26457560]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	Root Bark	n.a.	n.a.	PMID[26982999]
NPO5898	Calea urticifolia	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[27754693]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	PMID[28156114]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	PMID[28248102]
NPO10304	Colletotrichum gloeosporioides	Species	Glomerellaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29035525]
NPO3013	Clathria basilana	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	PMID[29094598]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29154541]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29400471]
NPO759	Asphodelus tenuifolius	Species	Asphodelaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30063349]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30188125]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	Aerial Parts	n.a.	n.a.	PMID[30726671]
NPO6350	Spongia officinalis	Species	Spongiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[31095383]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31397570]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31747281]
NPO623	Amaranthus hypochondriacus	Species	Amaranthaceae	Eukaryota	Flowers	São Paulo, Brazil.		PMID[32156350]
NPO21355	Elsholtzia ciliata	Species	Lamiaceae	Eukaryota	Aerial Parts	n.a.	n.a.	PMID[32991171]
NPO32832	combretum caffrum	Species	Combretaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[3404149]
NPO32832	combretum caffrum	Species	Combretaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[3598594]
NPO32832	combretum caffrum	Species	Combretaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[3668557]
NPO2804	Calophyllum inophyllum	Species	Calophyllaceae	Eukaryota	n.a.	Malaysian	n.a.	PMID[7506311]
NPO6715	Pseudostellaria heterophylla	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7673942]
NPO30745	Chrysanthemum morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8158164]
NPO30745	Chrysanthemum morifolium	Species	Asteraceae	Eukaryota	n.a.	inflorescence	n.a.	PMID[8158164]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8594148]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	fruits	n.a.	n.a.	PMID[9090870]
NPO21139	Daphniphyllum calycinum	Species	Daphniphyllaceae	Eukaryota	n.a.	leaf	n.a.	PMID[9599286]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9834167]
NPO23256	Mentha arvensis	Species	Lamiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO23256	Mentha arvensis	Species	Lamiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO11842	Petasites laevigatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24671	Lycopodium japonicum	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14881	Senecio nemorensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5118	Zanthoxylum myriacanthum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21482	Crotalaria laburnifolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2804	Calophyllum inophyllum	Species	Calophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20096	Cirsium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22913	Ajuga forrestii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10316	Glechoma longituba	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15315	Boswellia carterii	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7216	Helicteres angustifolia	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11577	Buddleja officinalis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4547	Hypericum aucheri	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13473	Anodendron affine	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3634	Robinia pseudoacacia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6715	Pseudostellaria heterophylla	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12721	Liriodendron tulipifera	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14297	Dioscorea gracillima	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18046	Mosla chinensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30745	Chrysanthemum morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15167	Eichhornia crassipes	Species	Pontederiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11583	Calycanthus floridus	Species	Calycanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11697	Cirsium setosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21355	Elsholtzia ciliata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17556	Verbascum lychnites	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26719	Tetrapanax papyrifer	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26396	Coprinopsis atramentaria	Species	Psathyrellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11842	Petasites laevigatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18046	Mosla chinensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13473	Anodendron affine	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20096	Cirsium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11583	Calycanthus floridus	Species	Calycanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14881	Senecio nemorensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7216	Helicteres angustifolia	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3123	Anthemis cretica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15167	Eichhornia crassipes	Species	Pontederiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10316	Glechoma longituba	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1252	Aglaia grandis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3634	Robinia pseudoacacia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11697	Cirsium setosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6715	Pseudostellaria heterophylla	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28741	Afrocarpus gracilior	Species	Podocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21482	Crotalaria laburnifolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12721	Liriodendron tulipifera	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21355	Elsholtzia ciliata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1033	Plectranthus nummularius	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7590	Agrostophyllum brevipes	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15315	Boswellia carterii	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17959	Berberis repens	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2804	Calophyllum inophyllum	Species	Calophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13857	Mentha canadensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5898	Calea urticifolia	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14297	Dioscorea gracillima	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24671	Lycopodium japonicum	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5118	Zanthoxylum myriacanthum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7043	Fuligo candida	Species	Physaraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11452	Pterocarpus officinalis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11577	Buddleja officinalis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4547	Hypericum aucheri	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17556	Verbascum lychnites	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21139	Daphniphyllum calycinum	Species	Daphniphyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22913	Ajuga forrestii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4203	Phlomoides rotata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12721	Liriodendron tulipifera	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14881	Senecio nemorensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20096	Cirsium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11583	Calycanthus floridus	Species	Calycanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30745	Chrysanthemum morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14367	Hypericum hirsutum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22913	Ajuga forrestii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11577	Buddleja officinalis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21355	Elsholtzia ciliata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO10316	Glechoma longituba	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17556	Verbascum lychnites	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3634	Robinia pseudoacacia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14297	Dioscorea gracillima	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO24671	Lycopodium japonicum	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18046	Mosla chinensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO6715	Pseudostellaria heterophylla	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15315	Boswellia carterii	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11697	Cirsium setosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO21355	Elsholtzia ciliata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18046	Mosla chinensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13857	Mentha canadensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23706	Breea segeta	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4203	Phlomoides rotata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11577	Buddleja officinalis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO25902	Glechoma grandis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO6715	Pseudostellaria heterophylla	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23256	Mentha arvensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20096	Cirsium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15315	Boswellia carterii	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO10316	Glechoma longituba	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO460	Alangium ridleyi	Species	Cornaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17508	Danae racemosa	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15463	Vernonia fruticulosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7463	Ranzania japonica	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24671	Lycopodium japonicum	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28741	Afrocarpus gracilior	Species	Podocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18445	Puccinia coronata	Species	Pucciniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO540	Anaphalis araneosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3123	Anthemis cretica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28795	Retiboletus ornatipes	Species	Boletaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14881	Senecio nemorensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8653	Leuconostoc mesenteroides	Species	Leuconostocaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO20336	Arctotheca calendula	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13379	Schizanthus tricolor	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8120	Episcia cupreata	Species	Gesneriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12721	Liriodendron tulipifera	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1870	Polyporus dryadeus	Species	Polyporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15167	Eichhornia crassipes	Species	Pontederiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14367	Hypericum hirsutum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5641	Dendroctonus frontalis	Species	Curculionidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10304	Colletotrichum gloeosporioides	Species	Glomerellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9358	Pseuduvaria indochinensis	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2804	Calophyllum inophyllum	Species	Calophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14865	Vitex limonifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10798	Cis punctifer	Species	Ciidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16021	Boletus bovinus	Species	Boletaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11544	Vernonia lanuginosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11452	Pterocarpus officinalis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4360	Hendersonula toruloidea	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO26719	Tetrapanax papyrifer	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10991	Maackia tashiroi	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3829	Euphorbia myrsinites	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7590	Agrostophyllum brevipes	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO780	Senecio viscosus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5280	Rubia tetragona	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10536	Rhabdonia verticillata	Species	Areschougiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19763	Meloidogyne incognita	Species	Meloidogynidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14297	Dioscorea gracillima	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8401	Pteris setuloso-costulata	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO392	Laurencia composita	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5118	Zanthoxylum myriacanthum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9786	Monomeria barbata	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO735	Pteraster multipes	Species	Pterasteridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2302	Sedum litoreum	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21758	Thiocystis gelatinosa	Species	Chromatiaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19826	Helicoverpa armigera	Species	0ctuidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7968	Artemisia kurramensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO359	Streptomyces coeruleorubidus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO10081	Othonna sedifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23256	Mentha arvensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7057	Ptarmica ptarmicifolia	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO17126	Callicarpa pilosissima	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22231	Fagara naranjillo	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO623	Amaranthus hypochondriacus	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9447	Tolypothrix tenuis	Species	Tolypothrichaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO6350	Spongia officinalis	Species	Spongiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2832	Hazunta membranacea	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO14369	Pocillopora eydouxi	Species	Pocilloporidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6802	Rothmannia wittii	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO414	Iostephane madrensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2367	Dendrobates truncatus	Species	Dendrobatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11153	Entada polystachya	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4658	Hedysarum denticulatum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1558	Ozothamnus obcordatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18046	Mosla chinensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7043	Fuligo candida	Species	Physaraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19768	Xylosalsola arbuscula	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8764	Laurencia decumbens	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14049	Fumaria indica	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3171	Menisporopsis theobromae	Species	n.a.	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5481	Fomes robiniae	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17240	Crematogaster brevis	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11577	Buddleja officinalis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1033	Plectranthus nummularius	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21355	Elsholtzia ciliata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3013	Clathria basilana	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13669	Hertia cheirifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6370	Roemeria carica	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22430	Parnassius phoebus	Species	Papilionidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5813	Ligularia songarica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6766	Antiphiona pinnatisecta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO759	Asphodelus tenuifolius	Species	Asphodelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13473	Anodendron affine	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26103	Streptomyces bobili	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13383	Schumanniophyton magnificum	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20096	Cirsium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8991	Carcinus maenas	Species	Carcinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1899	Aria rostellata	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4700	Pertusaria truncata	Species	Pertusariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1234	Plagiocheilus prostratus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14470	Polypodium decumanum	Species	Polypodiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12994	Choriaster granulatus	Species	Oreasteridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6081	Limnocharis flava	Species	Alismataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3423	Teucrium asiaticum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6103	Bjerkandera adusta	Species	Phanerochaetaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11842	Petasites laevigatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2495	Agave xylonacantha	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13178	Ornithoglossum viride	Species	Colchicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17959	Berberis repens	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1509	Hippeastrum papilio	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9567	Enicosanthum cupulare	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10316	Glechoma longituba	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9569	Licaria chrysophylla	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7932	Ips confusus	Species	Curculionidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO557	Bhesa nitidissima	Species	Centroplacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21482	Crotalaria laburnifolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19475	Isodon sculponeatus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6480	Zanthoxylum fraxineum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14169	Acrocarpia paniculata	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4706	Streptomyces vinaceusdrappus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28877	Scutellaria baicalensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8268	Croton laccifer	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20470	Elaeagnus orientalis	Species	Elaeagnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20543	Psydrax livida	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2012	Turnera diffusa	Species	Passifloraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1252	Aglaia grandis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3319	Helichrysum nitens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12153	Adenia globosa	Species	Passifloraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22913	Ajuga forrestii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20115	Melampodium argophyllum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15828	Garcinia nervosa	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21139	Daphniphyllum calycinum	Species	Daphniphyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7216	Helicteres angustifolia	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4203	Phlomoides rotata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9265	Jasonia candicans	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6715	Pseudostellaria heterophylla	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26520	Wyethia mollis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10483	Chrysanthemum sinense	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5898	Calea urticifolia	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10424	Anaxagorea prinoides	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9136	Pseudocyclosorus subochthodes	Species	Thelypteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25934	Diphasiastrum thyoides	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11684	Iberis sempervirens	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20196	Aplysia vaccaria	Species	Aplysiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5918	Thermopsis dolichocarpa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4007	Vicia amurensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7779	Impatiens edgeworthii	Species	Balsaminaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11583	Calycanthus floridus	Species	Calycanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO275	Amphilophis odorata	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO4182	Hygrophorus chrysodon	Species	Hygrophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15449	Echium rubrum	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4783	Cyphus niveus	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO15804	Amsonia grandiflora	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15315	Boswellia carterii	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12521	Sphaeranthus confertifolius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13857	Mentha canadensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12613	Catunaregam tomentosa	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5143	Millettia ferruginea	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17787	Artemisia pontica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21614	Urceolaria scruposa	Species	Trichodinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13470	Satureja odora	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13876	Cedrela salvadorensis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11697	Cirsium setosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20516	Hydrocotyle ranunculoides	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3634	Robinia pseudoacacia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15339	Artemisia afra	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4547	Hypericum aucheri	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO129	Biebersteinia orphanidis	Species	Biebersteiniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19889	Cereus stellatus	Species	Sagartiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26396	Coprinopsis atramentaria	Species	Psathyrellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16409	Quercus pedunculata	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11507	Entada africana	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2862	Dendrilla cavernosa	Species	Darwinellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO978	Panzerina lanata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11973	Gymnothorax javanicus	Species	Muraenidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4728	Streptomyces tsukubensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO5007	Deltocyathus magnificus	Species	Caryophylliidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6604	Melanothamnus afaqhusainii	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	NP ID	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
AC50	6
EC50	1
ED50	1
IC50	41
Ki	7
MIC	1
Others	109
Potency	64

Activity Type	# Activity
Cell Line	10
Individual Protein	108
NON-MOLECULAR	37
Organism	26
Others	38
Protein Complex	2
Protein-Protein Interaction	3
SINGLE PROTEIN	3
Tissue	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1604	Individual Protein	Cytochrome P450 1B1	Homo sapiens	IC50	=	7.0	nM	PMID[494700]
NPT1603	Individual Protein	Cytochrome P450 1A1	Homo sapiens	IC50	=	80.0	nM	PMID[494700]
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	IC50	=	80.0	nM	PMID[494700]
NPT1310	Individual Protein	Xanthine dehydrogenase	Bos taurus	Inhibition	=	55.7	%	PMID[494703]
NPT1310	Individual Protein	Xanthine dehydrogenase	Bos taurus	IC50	=	14100.0	nM	PMID[494703]
NPT285	Individual Protein	Epidermal growth factor receptor erbB1	Homo sapiens	IC50	=	40.0	ug.mL-1	PMID[494705]
NPT91	Cell Line	KB	Homo sapiens	ED50	>	100.0	ug ml-1	PMID[494706]
NPT1580	Individual Protein	Salivary alpha-amylase	Homo sapiens	Inhibition	=	14.1	%	PMID[494708]
NPT183	Individual Protein	Arachidonate 5-lipoxygenase	Rattus norvegicus	Inhibition	=	77.6	%	PMID[494710]
NPT183	Individual Protein	Arachidonate 5-lipoxygenase	Rattus norvegicus	IC50	=	123200.0	nM	PMID[494710]
NPT249	Individual Protein	Glucocorticoid receptor	Homo sapiens	EC150	=	2.1	uM	PMID[494713]
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	EC150	=	2.1	uM	PMID[494713]
NPT1338	Individual Protein	Sialidase 2	Homo sapiens	IC50	>	1000000.0	nM	PMID[494715]
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	IC50	=	251.0	nM	PMID[494719]
NPT1603	Individual Protein	Cytochrome P450 1A1	Homo sapiens	IC50	=	86.0	nM	PMID[494719]
NPT1604	Individual Protein	Cytochrome P450 1B1	Homo sapiens	IC50	=	12.0	nM	PMID[494719]
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	14125.4	nM	PMID[494720]
NPT537	Individual Protein	Ras-related protein Rab-9A	Homo sapiens	Potency	=	3162.3	nM	PMID[494723]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	25118.9	nM	PMID[494722]
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency	=	10000.0	nM	PMID[494720]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	25118.9	nM	PMID[494722]
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	Potency	=	1000.0	nM	PMID[494720]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	3548.1	nM	PMID[494722]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	3548.1	nM	PMID[494721]
NPT211	Individual Protein	Hypoxia-inducible factor 1 alpha	Homo sapiens	Potency	=	794.3	nM	PMID[494720]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	39810.7	nM	PMID[494722]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	39810.7	nM	PMID[494721]
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Potency	=	39810.7	nM	PMID[494722]
NPT45	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 2	Homo sapiens	Potency	=	12589.3	nM	PMID[494720]
NPT538	Individual Protein	Niemann-Pick C1 protein	Homo sapiens	Potency	=	5623.4	nM	PMID[494723]
NPT531	Individual Protein	Nuclear receptor ROR-gamma	Mus musculus	Potency	=	28183.8	nM	PMID[494722]
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	=	31622.8	nM	PMID[494722]
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	=	25118.9	nM	PMID[494722]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Potency	=	3162.3	nM	PMID[494722]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Potency	=	2511.9	nM	PMID[494720]
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	Potency	=	12589.3	nM	PMID[494720]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Potency	=	7943.3	nM	PMID[494721]
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	Potency	=	1258.9	nM	PMID[494720]
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	2908.1	nM	PMID[494723]
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	5623.4	nM	PMID[494723]
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	AC50	=	1258.93	nM	PMID[494720]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	AC50	=	2511.89	nM	PMID[494720]
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	AC50	=	1000.0	nM	PMID[494720]
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	AC50	=	63.1	nM	PMID[494720]
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	AC50	=	12589.25	nM	PMID[494720]
NPT1603	Individual Protein	Cytochrome P450 1A1	Homo sapiens	Ki	=	45.0	nM	PMID[494724]
NPT1604	Individual Protein	Cytochrome P450 1B1	Homo sapiens	Ki	=	7.0	nM	PMID[494724]
NPT1603	Individual Protein	Cytochrome P450 1A1	Homo sapiens	TIME	=	0.1883	hr	PMID[494724]
NPT1603	Individual Protein	Cytochrome P450 1A1	Homo sapiens	Activity	=	15.9	%	PMID[494724]
NPT65	Cell Line	HepG2	Homo sapiens	Potency	n.a.	11220.2	nM	PMID[494723]
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency	n.a.	10000.0	nM	PMID[494723]
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency	n.a.	1901.2	nM	PMID[494723]
NPT3324	Individual Protein	Cell division protein kinase 8	Homo sapiens	Ki	=	630.96	nM	PMID[494725]
NPT3347	Individual Protein	Cyclin-dependent kinase 9	Homo sapiens	Ki	=	1258.93	nM	PMID[494725]
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency	n.a.	22387.2	nM	PMID[494723]
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency	n.a.	11220.2	nM	PMID[494720]
NPT157	Individual Protein	Breast cancer type 1 susceptibility protein	Homo sapiens	Potency	n.a.	17782.8	nM	PMID[494723]
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	-1.38	%	PMID[494727]
NPT1380	Individual Protein	Avian myoblastosis virus polyprotein II	Avian myeloblastosis virus	Inhibition	=	48.0	%	PMID[494728]
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	FC	=	6.0	n.a.	PMID[494730]
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	FC	=	3.4	n.a.	PMID[494730]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	29092.9	nM	PMID[494723]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	29092.9	nM	PMID[494731]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	23715.0	nM	PMID[494732]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	26608.6	nM	PMID[494732]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	20.6	nM	PMID[494731]
NPT160	Individual Protein	TAR DNA-binding protein 43	Homo sapiens	Potency	n.a.	316.2	nM	PMID[494723]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	10322.5	nM	PMID[494723]
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	53700.0	nM	PMID[494740]
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	27700.0	nM	PMID[494740]
NPT5891	Individual Protein	Voltage-gated potassium channel subunit Kv4.3	Homo sapiens	TIME	=	0.00003778	hr	PMID[494741]
NPT5891	Individual Protein	Voltage-gated potassium channel subunit Kv4.3	Homo sapiens	IC50	=	9300.0	nM	PMID[494741]
NPT5891	Individual Protein	Voltage-gated potassium channel subunit Kv4.3	Homo sapiens	Activity	=	95.0	%	PMID[494741]
NPT3839	Individual Protein	Voltage-gated potassium channel subunit Kv1.5	Homo sapiens	IC50	=	3200.0	nM	PMID[494741]
NPT3839	Individual Protein	Voltage-gated potassium channel subunit Kv1.5	Homo sapiens	Activity	=	94.0	%	PMID[494741]
NPT3839	Individual Protein	Voltage-gated potassium channel subunit Kv1.5	Homo sapiens	IC50	=	3400.0	nM	PMID[494741]
NPT1604	Individual Protein	Cytochrome P450 1B1	Homo sapiens	IC50	=	14.0	nM	PMID[494742]
NPT1604	Individual Protein	Cytochrome P450 1B1	Homo sapiens	Ki	=	7.0	nM	PMID[494742]
NPT261	Individual Protein	Monoamine oxidase A	Homo sapiens	IC50	=	121.0	nM	PMID[494743]
NPT582	Individual Protein	Monoamine oxidase B	Homo sapiens	IC50	=	49.0	nM	PMID[494743]
NPT261	Individual Protein	Monoamine oxidase A	Homo sapiens	Ratio IC50	>	5.0	n.a.	PMID[494743]
NPT582	Individual Protein	Monoamine oxidase B	Homo sapiens	Ratio IC50	>	22.0	n.a.	PMID[494743]
NPT582	Individual Protein	Monoamine oxidase B	Homo sapiens	Ratio IC50	=	75.0	n.a.	PMID[494743]
NPT261	Individual Protein	Monoamine oxidase A	Homo sapiens	Ki	=	59.2	nM	PMID[494743]
NPT582	Individual Protein	Monoamine oxidase B	Homo sapiens	Ki	=	49.0	nM	PMID[494743]
NPT261	Individual Protein	Monoamine oxidase A	Homo sapiens	Inhibition	>	95.0	%	PMID[494743]
NPT582	Individual Protein	Monoamine oxidase B	Homo sapiens	Inhibition	=	90.0	%	PMID[494743]
NPT261	Individual Protein	Monoamine oxidase A	Homo sapiens	Activity	>	90.0	%	PMID[494743]
NPT582	Individual Protein	Monoamine oxidase B	Homo sapiens	Activity	=	90.0	%	PMID[494743]
NPT261	Individual Protein	Monoamine oxidase A	Homo sapiens	IC50	=	190.0	nM	PMID[494745]
NPT261	Individual Protein	Monoamine oxidase A	Homo sapiens	IC50	=	190.0	nM	PMID[494747]
NPT1604	Individual Protein	Cytochrome P450 1B1	Homo sapiens	INH	=	12.0	uM	PMID[494748]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	0.4	ug.mL-1	PMID[494749]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	IC50	=	0.4	ug.mL-1	PMID[494749]
NPT146	Cell Line	SK-OV-3	Homo sapiens	IC50	=	0.4	ug.mL-1	PMID[494749]
NPT574	Cell Line	XF498	Homo sapiens	IC50	=	0.4	ug.mL-1	PMID[494749]
NPT148	Cell Line	HCT-15	Homo sapiens	IC50	=	0.4	ug.mL-1	PMID[494749]
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	38.17	%	PMID[494750]
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	36.26	%	PMID[494750]
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	32.05	%	PMID[494750]
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	6200.0	nM	PMID[494752]
NPT2266	Individual Protein	Fructose-1,6-bisphosphatase	Homo sapiens	Inhibition	<	20.0	%	PMID[494755]
NPT3213	Individual Protein	MAP kinase signal-integrating kinase 2	Homo sapiens	Inhibition	>	50.0	%	PMID[494757]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC25	=	16.3	uM	PMID[494698]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC25	=	1180.0	uM	PMID[494698]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	pIC25	=	-3.07	n.a.	PMID[494698]
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	>=	100000.0	nM	PMID[494699]
NPT2	Others	Unspecified		Activity	=	88.6	%	PMID[494702]
NPT2	Others	Unspecified		Activity	=	99.3	%	PMID[494702]
NPT2	Others	Unspecified		Activity	=	98.7	%	PMID[494702]
NPT2	Others	Unspecified		ID50	=	15.0	ug ml-1	PMID[494704]
NPT2	Others	Unspecified		Activity	=	26.0	n.a.	PMID[494707]
NPT2	Others	Unspecified		ID50	=	300.0	ug ml-1	PMID[494709]
NPT2	Others	Unspecified		Inhibition	=	69.5	%	PMID[494710]
NPT2	Others	Unspecified		IC50	=	77500.0	nM	PMID[494710]
NPT2	Others	Unspecified		IC50	=	22000.0	nM	PMID[494711]
NPT27	Others	Unspecified		Activity	>	20.0	%	PMID[494711]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	281700.0	nM	PMID[494712]
NPT99	Individual Protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	FC	=	2.0	n.a.	PMID[494714]
NPT99	Individual Protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	FC	=	7.7	n.a.	PMID[494714]
NPT866	Individual Protein	Peroxisome proliferator-activated receptor alpha	Homo sapiens	FC	=	2.3	n.a.	PMID[494714]
NPT866	Individual Protein	Peroxisome proliferator-activated receptor alpha	Homo sapiens	FC	=	5.2	n.a.	PMID[494714]
NPT2	Others	Unspecified		IC50	>	1000000.0	nM	PMID[494715]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	12.6	ug.mL-1	PMID[494717]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	deltaA	=	0.26	n.a.	PMID[494718]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	5.5	ug.mL-1	PMID[494717]
NPT2	Others	Unspecified		Potency	=	31622.8	nM	PMID[494721]
NPT2	Others	Unspecified		Potency	=	15848.9	nM	PMID[494722]
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	14125.4	nM	PMID[494720]
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	25118.9	nM	PMID[494721]
NPT94	Individual Protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	1584.9	nM	PMID[494720]
NPT94	Individual Protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	3548.1	nM	PMID[494721]
NPT197	Protein-Protein Interaction	Menin/Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	14125.4	nM	PMID[494720]
NPT197	Protein-Protein Interaction	Menin/Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	14125.4	nM	PMID[494722]
NPT197	Protein-Protein Interaction	Menin/Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	35481.3	nM	PMID[494721]
NPT2	Others	Unspecified		Potency	=	17782.8	nM	PMID[494722]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	1651.1	nM	PMID[494723]
NPT8	Individual Protein	DNA polymerase iota	Homo sapiens	Potency	n.a.	100000.0	nM	PMID[494723]
NPT2	Others	Unspecified		Potency	n.a.	10000.0	nM	PMID[494723]
NPT2	Others	Unspecified		Potency	n.a.	12589.3	nM	PMID[494723]
NPT67	Individual Protein	Cholinesterase	Equus caballus	Inhibition	=	-2.17	%	PMID[494727]
NPT2528	Organism	Rhopalosiphum padi	Rhopalosiphum padi	Ratio	=	0.3	n.a.	PMID[494729]
NPT348	Organism	Myzus persicae	Myzus persicae	Ratio	=	0.1	n.a.	PMID[494729]
NPT2528	Organism	Rhopalosiphum padi	Rhopalosiphum padi	Activity	=	34.0	%	PMID[494729]
NPT348	Organism	Myzus persicae	Myzus persicae	Activity	=	44.0	%	PMID[494729]
NPT2	Others	Unspecified		Inhibition	=	26.7	%	PMID[494733]
NPT2	Others	Unspecified		Inhibition	<	40.0	%	PMID[494733]
NPT2	Others	Unspecified		IC50	=	7000.0	nM	PMID[494733]
NPT27	Others	Unspecified		Activity	>	98.0	%	PMID[494733]
NPT548	Tissue	Ileum	Cavia porcellus	IC50	=	1100.0	nM	PMID[494736]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	50.0	%	PMID[494736]
NPT2	Others	Unspecified		AC50	=	50000.0	nM	PMID[494723]
NPT2	Others	Unspecified		Potency	n.a.	10000.0	nM	PMID[494731]
NPT2	Others	Unspecified		Potency	n.a.	3981.1	nM	PMID[494732]
NPT2	Others	Unspecified		Potency	n.a.	3162.3	nM	PMID[494720]
NPT2	Others	Unspecified		Potency	n.a.	35481.3	nM	PMID[494731]
NPT2	Others	Unspecified		Potency	n.a.	3548.1	nM	PMID[494720]
NPT2	Others	Unspecified		Potency	n.a.	2818.4	nM	PMID[494732]
NPT32	Organism	Mus musculus	Mus musculus	Survival	=	80.0	%	PMID[494738]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	64.4	U/L	PMID[494738]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	520.1	U/L	PMID[494738]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	395.6	U/L	PMID[494738]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	361.3	U/L	PMID[494738]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	13.1	pg/ml	PMID[494738]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	27.4	pg/ml	PMID[494738]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	131.0	pg/ml	PMID[494738]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	1011.0	pg/ml	PMID[494738]
NPT2	Others	Unspecified		Potency	n.a.	2818.4	nM	PMID[494731]
NPT2	Others	Unspecified		Potency	n.a.	3981.1	nM	PMID[494723]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	115.0	%	PMID[494740]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	99.0	%	PMID[494740]
NPT2	Others	Unspecified		Activity	=	-180.2	pA	PMID[494741]
NPT2	Others	Unspecified		Activity	=	87.8	pA	PMID[494741]
NPT2	Others	Unspecified		Activity	=	-75.6	pA	PMID[494741]
NPT2	Others	Unspecified		Activity	=	55.7	pA	PMID[494741]
NPT98	Individual Protein	HERG	Homo sapiens	IC50	=	32400.0	nM	PMID[494741]
NPT5890	Protein Complex	Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK)	Homo sapiens	Activity	=	83.0	%	PMID[494741]
NPT5890	Protein Complex	Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK)	Homo sapiens	IC50	=	81400.0	nM	PMID[494741]
NPT24150	TISSUE	Heart	Oryctolagus cuniculus	Activity	=	156.0	bpm	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003014	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003292	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003447	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003478	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00002744	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003119	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003233	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00002486	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00002903	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00002958	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00002919	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003392	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003475	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003519	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003236	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003328	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003403	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003303	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003058	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003153	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.00003097	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	10.0	%	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	50.0	%	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	57.0	%	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.0885	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TIME	=	0.07167	hr	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Efficacy	=	85.7	%	PMID[494741]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Efficacy	=	50.0	%	PMID[494741]
NPT24150	TISSUE	Heart	Oryctolagus cuniculus	TIME	=	0.00008575	hr	PMID[494741]
NPT2	Others	Unspecified		Ratio IC50	=	1.74	n.a.	PMID[494744]
NPT2	Others	Unspecified		IC50	=	220.0	nM	PMID[494744]
NPT2	Others	Unspecified		Ratio IC50	=	0.89	n.a.	PMID[494745]
NPT2	Others	Unspecified		IC50	>	100000.0	nM	PMID[494750]
NPT22466	SINGLE PROTEIN	Inositol hexakisphosphate kinase 2	Homo sapiens	IC50	=	5700.0	nM	PMID[494751]
NPT22467	SINGLE PROTEIN	Inositol polyphosphate multikinase	Homo sapiens	IC50	>	30000.0	nM	PMID[494751]
NPT2	Others	Unspecified		Ratio IC50	>	5.3	n.a.	PMID[494751]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-5.68	%	PMID[494753]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.02	%	PMID[494754]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	PMID[494756]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	PMID[494756]

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC231772 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	453
0.1-0.2	1936
0.2-0.3	4943
0.3-0.4	12045
0.4-0.5	5395
0.5-0.6	4390
0.6-0.7	5772
0.7-0.8	4072
0.8-0.85	1835
0.85-0.9	1292
0.9-0.95	504
0.95-1	60

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC124784
1.0	High Similarity	NPC473887
1.0	High Similarity	NPC29353
1.0	High Similarity	NPC47815
1.0	High Similarity	NPC127447
1.0	High Similarity	NPC234133
1.0	High Similarity	NPC194281
0.9924	High Similarity	NPC250266
0.9924	High Similarity	NPC266597
0.9847	High Similarity	NPC13408
0.9774	High Similarity	NPC152042
0.9774	High Similarity	NPC143799
0.9774	High Similarity	NPC241838
0.9774	High Similarity	NPC78913
0.9774	High Similarity	NPC18260
0.9769	High Similarity	NPC274121
0.9769	High Similarity	NPC50898
0.9769	High Similarity	NPC78540
0.9769	High Similarity	NPC213216
0.9701	High Similarity	NPC184536
0.9701	High Similarity	NPC146679
0.9701	High Similarity	NPC159275
0.9701	High Similarity	NPC241100
0.9701	High Similarity	NPC59951
0.9701	High Similarity	NPC269652
0.9701	High Similarity	NPC281207
0.9701	High Similarity	NPC103342
0.9701	High Similarity	NPC103904
0.9701	High Similarity	NPC230285
0.9699	High Similarity	NPC188947
0.9699	High Similarity	NPC99333
0.9699	High Similarity	NPC201395
0.9699	High Similarity	NPC280284
0.9695	High Similarity	NPC172262
0.963	High Similarity	NPC90582
0.963	High Similarity	NPC262094
0.963	High Similarity	NPC110969
0.963	High Similarity	NPC282300
0.963	High Similarity	NPC136840
0.9627	High Similarity	NPC301217
0.9627	High Similarity	NPC303633
0.9627	High Similarity	NPC53181
0.9627	High Similarity	NPC329203
0.9627	High Similarity	NPC216978
0.9627	High Similarity	NPC310135
0.9627	High Similarity	NPC222342
0.9627	High Similarity	NPC20709
0.9627	High Similarity	NPC96565
0.9627	High Similarity	NPC217186
0.9627	High Similarity	NPC55018
0.9627	High Similarity	NPC220062
0.9627	High Similarity	NPC225153
0.9627	High Similarity	NPC265871
0.9627	High Similarity	NPC274784
0.9627	High Similarity	NPC150648
0.9624	High Similarity	NPC290291
0.9624	High Similarity	NPC228661
0.9624	High Similarity	NPC188879
0.9624	High Similarity	NPC275055
0.9618	High Similarity	NPC57601
0.9615	High Similarity	NPC475589
0.9615	High Similarity	NPC31872
0.9615	High Similarity	NPC473584
0.9615	High Similarity	NPC113006
0.9615	High Similarity	NPC278556
0.9559	High Similarity	NPC226636
0.9559	High Similarity	NPC11561
0.9556	High Similarity	NPC6407
0.9556	High Similarity	NPC284550
0.9556	High Similarity	NPC129853
0.9556	High Similarity	NPC150522
0.9556	High Similarity	NPC76445
0.9556	High Similarity	NPC110228
0.9556	High Similarity	NPC270883
0.9556	High Similarity	NPC261227
0.9556	High Similarity	NPC188243
0.9556	High Similarity	NPC172986
0.9552	High Similarity	NPC124269
0.9552	High Similarity	NPC276905
0.9552	High Similarity	NPC118813
0.9549	High Similarity	NPC240593
0.9549	High Similarity	NPC187432
0.9549	High Similarity	NPC256042
0.9549	High Similarity	NPC281917
0.9549	High Similarity	NPC216361
0.9549	High Similarity	NPC116775
0.9542	High Similarity	NPC101294
0.9542	High Similarity	NPC129132
0.9542	High Similarity	NPC205468
0.9542	High Similarity	NPC87231
0.9542	High Similarity	NPC473655
0.9542	High Similarity	NPC25937
0.9542	High Similarity	NPC212631
0.9542	High Similarity	NPC10971
0.9542	High Similarity	NPC257756
0.9538	High Similarity	NPC137264
0.9538	High Similarity	NPC270369
0.9538	High Similarity	NPC5515
0.9489	High Similarity	NPC470216
0.9485	High Similarity	NPC3188
0.9485	High Similarity	NPC118840
0.9485	High Similarity	NPC4743
0.9485	High Similarity	NPC324386
0.9485	High Similarity	NPC147688
0.9485	High Similarity	NPC213322
0.9485	High Similarity	NPC205006
0.9485	High Similarity	NPC103362
0.9485	High Similarity	NPC312391
0.9485	High Similarity	NPC64908
0.9485	High Similarity	NPC156590
0.9481	High Similarity	NPC140890
0.9481	High Similarity	NPC261234
0.9478	High Similarity	NPC209560
0.9478	High Similarity	NPC294409
0.9478	High Similarity	NPC181124
0.9478	High Similarity	NPC162680
0.9478	High Similarity	NPC7013
0.9478	High Similarity	NPC243083
0.9478	High Similarity	NPC287246
0.9478	High Similarity	NPC12296
0.9478	High Similarity	NPC296490
0.9478	High Similarity	NPC13768
0.9478	High Similarity	NPC299379
0.9478	High Similarity	NPC303644
0.9478	High Similarity	NPC295261
0.9478	High Similarity	NPC79943
0.9478	High Similarity	NPC107586
0.9478	High Similarity	NPC116632
0.9478	High Similarity	NPC32441
0.9474	High Similarity	NPC239495
0.9474	High Similarity	NPC9985
0.947	High Similarity	NPC223457
0.947	High Similarity	NPC242294
0.947	High Similarity	NPC175098
0.947	High Similarity	NPC144051
0.947	High Similarity	NPC204960
0.947	High Similarity	NPC294593
0.947	High Similarity	NPC139813
0.947	High Similarity	NPC82225
0.947	High Similarity	NPC337373
0.947	High Similarity	NPC159623
0.947	High Similarity	NPC188646
0.947	High Similarity	NPC18877
0.947	High Similarity	NPC56031
0.947	High Similarity	NPC312318
0.947	High Similarity	NPC20560
0.947	High Similarity	NPC472365
0.947	High Similarity	NPC28753
0.947	High Similarity	NPC263670
0.947	High Similarity	NPC192304
0.9466	High Similarity	NPC262359
0.9466	High Similarity	NPC308037
0.9466	High Similarity	NPC64359
0.9466	High Similarity	NPC284424
0.9462	High Similarity	NPC115998
0.9462	High Similarity	NPC39753
0.942	High Similarity	NPC319752
0.942	High Similarity	NPC311741
0.942	High Similarity	NPC234629
0.942	High Similarity	NPC273538
0.942	High Similarity	NPC216538
0.9416	High Similarity	NPC167624
0.9416	High Similarity	NPC59739
0.9416	High Similarity	NPC76338
0.9416	High Similarity	NPC62840
0.9416	High Similarity	NPC220998
0.9416	High Similarity	NPC78803
0.9416	High Similarity	NPC228504
0.9416	High Similarity	NPC227579
0.9416	High Similarity	NPC161506
0.9416	High Similarity	NPC78
0.9416	High Similarity	NPC10937
0.9416	High Similarity	NPC223500
0.9416	High Similarity	NPC214236
0.9416	High Similarity	NPC328164
0.9416	High Similarity	NPC177354
0.9416	High Similarity	NPC64915
0.9416	High Similarity	NPC40833
0.9416	High Similarity	NPC1089
0.9416	High Similarity	NPC125855
0.9416	High Similarity	NPC182852
0.9416	High Similarity	NPC296917
0.9416	High Similarity	NPC200694
0.9416	High Similarity	NPC306829
0.9416	High Similarity	NPC66515
0.9416	High Similarity	NPC76372
0.9416	High Similarity	NPC148757
0.9416	High Similarity	NPC32739
0.9416	High Similarity	NPC166482
0.9416	High Similarity	NPC202981
0.9416	High Similarity	NPC473042
0.9416	High Similarity	NPC324134
0.9416	High Similarity	NPC107572
0.9416	High Similarity	NPC299080
0.9416	High Similarity	NPC265040
0.9416	High Similarity	NPC293852
0.9416	High Similarity	NPC37496
0.9416	High Similarity	NPC166934
0.9416	High Similarity	NPC194432
0.9416	High Similarity	NPC217083

Chemically structural similarity: II. Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC231772 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	431
0.1-0.2	992
0.2-0.3	1535
0.3-0.4	2708
0.4-0.5	1837
0.5-0.6	1139
0.6-0.7	326
0.7-0.8	115
0.8-0.85	39
0.85-0.9	19
0.9-0.95	8
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9478	High Similarity	NPD1552	Clinical (unspecified phase)
0.9478	High Similarity	NPD1550	Clinical (unspecified phase)
0.942	High Similarity	NPD4378	Clinical (unspecified phase)
0.9407	High Similarity	NPD1549	Phase 2
0.9328	High Similarity	NPD1510	Phase 2
0.9318	High Similarity	NPD1240	Approved
0.9179	High Similarity	NPD1607	Approved
0.9143	High Similarity	NPD7410	Clinical (unspecified phase)
0.9118	High Similarity	NPD2796	Approved
0.9071	High Similarity	NPD1511	Approved
0.8944	High Similarity	NPD1512	Approved
0.8904	High Similarity	NPD2801	Approved
0.8836	High Similarity	NPD1934	Approved
0.8803	High Similarity	NPD6799	Approved
0.8776	High Similarity	NPD2393	Clinical (unspecified phase)
0.8767	High Similarity	NPD7411	Suspended
0.8723	High Similarity	NPD3750	Approved
0.8716	High Similarity	NPD8443	Clinical (unspecified phase)
0.8714	High Similarity	NPD970	Clinical (unspecified phase)
0.8699	High Similarity	NPD4380	Phase 2
0.8603	High Similarity	NPD6859	Clinical (unspecified phase)
0.86	High Similarity	NPD4381	Clinical (unspecified phase)
0.86	High Similarity	NPD7075	Discontinued
0.8581	High Similarity	NPD6801	Discontinued
0.8571	High Similarity	NPD1551	Phase 2
0.8533	High Similarity	NPD3882	Suspended
0.8523	High Similarity	NPD7096	Clinical (unspecified phase)
0.8523	High Similarity	NPD7819	Suspended
0.8467	Intermediate Similarity	NPD3817	Phase 2
0.8446	Intermediate Similarity	NPD6599	Discontinued
0.8392	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8392	Intermediate Similarity	NPD2800	Approved
0.837	Intermediate Similarity	NPD1203	Approved
0.8369	Intermediate Similarity	NPD3748	Approved
0.8367	Intermediate Similarity	NPD5403	Approved
0.8356	Intermediate Similarity	NPD5401	Approved
0.8355	Intermediate Similarity	NPD3749	Approved
0.8333	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8321	Intermediate Similarity	NPD1548	Phase 1
0.8289	Intermediate Similarity	NPD7768	Phase 2
0.8269	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8269	Intermediate Similarity	NPD6166	Phase 2
0.8269	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8269	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8264	Intermediate Similarity	NPD1243	Approved
0.8252	Intermediate Similarity	NPD2344	Approved
0.8228	Intermediate Similarity	NPD7054	Approved
0.8228	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8227	Intermediate Similarity	NPD6651	Approved
0.8209	Intermediate Similarity	NPD422	Phase 1
0.8194	Intermediate Similarity	NPD6959	Discontinued
0.8176	Intermediate Similarity	NPD7472	Approved
0.8165	Intermediate Similarity	NPD3818	Discontinued
0.8148	Intermediate Similarity	NPD9717	Approved
0.8125	Intermediate Similarity	NPD6797	Phase 2
0.8121	Intermediate Similarity	NPD920	Approved
0.8095	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8075	Intermediate Similarity	NPD7251	Discontinued
0.8074	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.8071	Intermediate Similarity	NPD2313	Discontinued
0.8071	Intermediate Similarity	NPD3268	Approved
0.8063	Intermediate Similarity	NPD7074	Phase 3
0.8058	Intermediate Similarity	NPD6832	Phase 2
0.8056	Intermediate Similarity	NPD2935	Discontinued
0.8029	Intermediate Similarity	NPD3225	Approved
0.8027	Intermediate Similarity	NPD2309	Approved
0.8025	Intermediate Similarity	NPD7808	Phase 3
0.8025	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD5402	Approved
0.7986	Intermediate Similarity	NPD7033	Discontinued
0.7986	Intermediate Similarity	NPD2799	Discontinued
0.7971	Intermediate Similarity	NPD2797	Approved
0.7958	Intermediate Similarity	NPD943	Approved
0.7941	Intermediate Similarity	NPD1610	Phase 2
0.7935	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7931	Intermediate Similarity	NPD6099	Approved
0.7931	Intermediate Similarity	NPD6100	Approved
0.7929	Intermediate Similarity	NPD4908	Phase 1
0.7914	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7914	Intermediate Similarity	NPD2798	Approved
0.7911	Intermediate Similarity	NPD6232	Discontinued
0.7901	Intermediate Similarity	NPD5953	Discontinued
0.7898	Intermediate Similarity	NPD5494	Approved
0.7891	Intermediate Similarity	NPD2654	Approved
0.7888	Intermediate Similarity	NPD7286	Phase 2
0.7875	Intermediate Similarity	NPD7473	Discontinued
0.7867	Intermediate Similarity	NPD2532	Approved
0.7867	Intermediate Similarity	NPD2534	Approved
0.7867	Intermediate Similarity	NPD2533	Approved
0.7862	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7862	Intermediate Similarity	NPD4308	Phase 3
0.7842	Intermediate Similarity	NPD3267	Approved
0.7842	Intermediate Similarity	NPD3266	Approved
0.7838	Intermediate Similarity	NPD4628	Phase 3
0.7817	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD1933	Approved
0.7778	Intermediate Similarity	NPD9545	Approved
0.7778	Intermediate Similarity	NPD3226	Approved
0.7761	Intermediate Similarity	NPD9493	Approved
0.7744	Intermediate Similarity	NPD6559	Discontinued
0.7722	Intermediate Similarity	NPD919	Approved
0.7692	Intermediate Similarity	NPD1296	Phase 2
0.7669	Intermediate Similarity	NPD1241	Discontinued
0.7655	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD4288	Approved
0.764	Intermediate Similarity	NPD3926	Phase 2
0.7635	Intermediate Similarity	NPD2346	Discontinued
0.7626	Intermediate Similarity	NPD1608	Approved
0.7626	Intermediate Similarity	NPD3972	Approved
0.7625	Intermediate Similarity	NPD1247	Approved
0.76	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD4307	Phase 2
0.758	Intermediate Similarity	NPD1465	Phase 2
0.7569	Intermediate Similarity	NPD411	Approved
0.7566	Intermediate Similarity	NPD7390	Discontinued
0.7561	Intermediate Similarity	NPD5844	Phase 1
0.7558	Intermediate Similarity	NPD4363	Phase 3
0.7558	Intermediate Similarity	NPD4360	Phase 2
0.7552	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7535	Intermediate Similarity	NPD1019	Discontinued
0.7534	Intermediate Similarity	NPD5124	Phase 1
0.7534	Intermediate Similarity	NPD230	Phase 1
0.7534	Intermediate Similarity	NPD447	Suspended
0.7534	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD4361	Phase 2
0.7514	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1481	Phase 2
0.7483	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7466	Intermediate Similarity	NPD1613	Approved
0.7466	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD6798	Discontinued
0.7448	Intermediate Similarity	NPD3764	Approved
0.7431	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD1535	Discovery
0.7429	Intermediate Similarity	NPD1201	Approved
0.7421	Intermediate Similarity	NPD2296	Approved
0.741	Intermediate Similarity	NPD17	Approved
0.741	Intermediate Similarity	NPD1729	Discontinued
0.7403	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD1894	Discontinued
0.7383	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD4625	Phase 3
0.7378	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD1470	Approved
0.7338	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD4287	Approved
0.7324	Intermediate Similarity	NPD4749	Approved
0.7321	Intermediate Similarity	NPD6104	Discontinued
0.732	Intermediate Similarity	NPD2354	Approved
0.7303	Intermediate Similarity	NPD1652	Phase 2
0.7296	Intermediate Similarity	NPD6844	Discontinued
0.7289	Intermediate Similarity	NPD3751	Discontinued
0.7285	Intermediate Similarity	NPD1471	Phase 3
0.7279	Intermediate Similarity	NPD6233	Phase 2
0.7273	Intermediate Similarity	NPD1876	Approved
0.7256	Intermediate Similarity	NPD5711	Approved
0.7256	Intermediate Similarity	NPD5710	Approved
0.7233	Intermediate Similarity	NPD5890	Approved
0.7233	Intermediate Similarity	NPD5889	Approved
0.723	Intermediate Similarity	NPD3142	Approved
0.723	Intermediate Similarity	NPD3140	Approved
0.7226	Intermediate Similarity	NPD7212	Phase 2
0.7226	Intermediate Similarity	NPD7213	Phase 3
0.7222	Intermediate Similarity	NPD1164	Approved
0.7222	Intermediate Similarity	NPD6971	Discontinued
0.7215	Intermediate Similarity	NPD7458	Discontinued
0.7195	Intermediate Similarity	NPD7199	Phase 2
0.7186	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD6355	Discontinued
0.7179	Intermediate Similarity	NPD7447	Phase 1
0.7179	Intermediate Similarity	NPD4662	Approved
0.7179	Intermediate Similarity	NPD4661	Approved
0.7171	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD2353	Approved
0.717	Intermediate Similarity	NPD6585	Discontinued
0.7169	Intermediate Similarity	NPD2403	Approved
0.7164	Intermediate Similarity	NPD9266	Approved
0.7164	Intermediate Similarity	NPD74	Approved
0.7161	Intermediate Similarity	NPD7440	Discontinued
0.7152	Intermediate Similarity	NPD7229	Phase 3
0.7152	Intermediate Similarity	NPD3787	Discontinued
0.7151	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3027	Phase 3
0.7143	Intermediate Similarity	NPD7003	Approved
0.7123	Intermediate Similarity	NPD2861	Phase 2
0.7123	Intermediate Similarity	NPD9494	Approved
0.7108	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD5408	Approved
0.7105	Intermediate Similarity	NPD5405	Approved
0.7105	Intermediate Similarity	NPD5404	Approved
0.7105	Intermediate Similarity	NPD5406	Approved
0.7104	Intermediate Similarity	NPD7584	Approved
0.7097	Intermediate Similarity	NPD3887	Approved

Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data