NPASS Compound

Structure

CID32373 OpenBabel06191715362D 30 34 0 0 1 0 0 0 0 0999 V2000 -0.1932 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5418 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0029 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5388 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4049 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4049 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 -1.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -5.0000 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 5.9540 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 4 10 2 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 17 2 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 20 1 0 0 0 0 13 8 1 6 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 21 2 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 18 10 1 1 0 0 0 18 19 1 0 0 0 0 19 22 1 6 0 0 0 20 23 1 1 0 0 0 21 27 1 0 0 0 0 22 24 2 0 0 0 0 22 28 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	414.13
Volume:	398.152
LogP:	1.654
LogD:	1.967
LogS:	-3.61
# Rotatable Bonds:	4
TPSA:	92.68
# H-Bond Aceptor:	8
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	8

MedChem Properties

QED Drug-Likeness Score:	0.763
Synthetic Accessibility Score:	3.752
Fsp3:	0.409
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.879
MDCK Permeability:	3.821789869107306e-05
Pgp-inhibitor:	0.949
Pgp-substrate:	0.001
Human Intestinal Absorption (HIA):	0.002
20% Bioavailability (F20%):	0.003
30% Bioavailability (F30%):	0.032

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.236
Plasma Protein Binding (PPB):	93.2157974243164%
Volume Distribution (VD):	1.275
Pgp-substrate:	5.262439250946045%

ADMET: Metabolism

CYP1A2-inhibitor:	0.059
CYP1A2-substrate:	0.973
CYP2C19-inhibitor:	0.733
CYP2C19-substrate:	0.912
CYP2C9-inhibitor:	0.39
CYP2C9-substrate:	0.796
CYP2D6-inhibitor:	0.13
CYP2D6-substrate:	0.44
CYP3A4-inhibitor:	0.939
CYP3A4-substrate:	0.922

ADMET: Excretion

Clearance (CL):	5.732
Half-life (T1/2):	0.277

ADMET: Toxicity

hERG Blockers:	0.107
Human Hepatotoxicity (H-HT):	0.164
Drug-inuced Liver Injury (DILI):	0.69
AMES Toxicity:	0.033
Rat Oral Acute Toxicity:	0.097
Maximum Recommended Daily Dose:	0.938
Skin Sensitization:	0.089
Carcinogencity:	0.089
Eye Corrosion:	0.003
Eye Irritation:	0.023
Respiratory Toxicity:	0.8

Download Data

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

Natural Product: NPC32373

Natural Product ID:	NPC32373
*Common Name:**	Picropodophyllotoxin
IUPAC Name:	(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Synonyms:	AXL-1717; Picropodophyllin; Picropodophyllotoxin
Standard InCHIKey:	YJGVMLPVUAXIQN-HAEOHBJNSA-N
Standard InCHI:	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1
SMILES:	COc1cc(cc(c1OC)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL283120
PubChem CID:	72435
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0001392] Lignans, neolignans and related compounds [CHEMONTID:0001510] Lignan lactones [CHEMONTID:0000047] Podophyllotoxins

*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
NPO17839	Machaerium mucronulatum	Species	Dolichopodidae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/S0031-9422(00)94598-9]
NPO25454	Plumbago europaea	Species	Plumbaginaceae	Eukaryota	n.a.	root	n.a.	DOI[10.2225/vol5-issue3-fulltext-4]
NPO21302	Cladosporium herbarum	Species	Cladosporiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11325242]
NPO7174	Callyspongia truncata	Species	Callyspongiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[12088440]
NPO7174	Callyspongia truncata	Species	Callyspongiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[12713420]
NPO21891	Panax notoginseng	Species	Araliaceae	Eukaryota	Flower buds	n.a.	n.a.	PMID[12880307]
NPO7090	Ammi majus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15009205]
NPO21302	Cladosporium herbarum	Species	Cladosporiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16038560]
NPO23848	Podophyllum peltatum	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16933860]
NPO21891	Panax notoginseng	Species	Araliaceae	Eukaryota	Stems	n.a.	n.a.	PMID[17663584]
NPO21891	Panax notoginseng	Species	Araliaceae	Eukaryota	Roots	n.a.	n.a.	PMID[18186611]
NPO1338	Arcangelisia gusanlung	Species	Menispermaceae	Eukaryota	n.a.	stem	n.a.	PMID[21500777]
NPO9604	Amycolatopsis lurida	Species	Pseudonocardiaceae	Bacteria	n.a.	n.a.	n.a.	PMID[25323720]
NPO16653	Matteuccia struthiopteris	Species	Onocleaceae	Eukaryota	rhizomes	Liaoning province, China	2011-SEP	PMID[25927664]
NPO11163	Methylobacterium organophilum	Species	Methylobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[26032177]
NPO21891	Panax notoginseng	Species	Araliaceae	Eukaryota	Steamed Roots	n.a.	n.a.	PMID[26200131]
NPO10903	Sinopodophyllum hexandrum	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26359402]
NPO16966	Leptospermum scoparium	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26731565]
NPO18983	Cleidion brevipetiolatum	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31419126]
NPO11163	Methylobacterium organophilum	Species	Methylobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[3928379]
NPO7946	Navicula delognei	Species	Berkeleyaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6512534]
NPO23848	Podophyllum peltatum	Species	Berberidaceae	Eukaryota	n.a.	root	n.a.	Database[Article]
NPO1362	Swertia paniculata	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[Article]
NPO16653	Matteuccia struthiopteris	Species	Onocleaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO25454	Plumbago europaea	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16653	Matteuccia struthiopteris	Species	Onocleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5200	Diphylleia grayi	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18306	Juniperus thurifera	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16293	Babylonia japonica	Species	Buccinidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23848	Podophyllum peltatum	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13963	Laurencia elata	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17385	Magnolia acuminata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22413	Dysosma aurantiocaulis	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7090	Ammi majus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26868	Diphylleia sinensis	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19127	Citrus tankan	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5764	Ophioglossum vulgatum	Species	Ophioglossaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22208	Spiraea mongolica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16653	Matteuccia struthiopteris	Species	Onocleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25454	Plumbago europaea	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17831	Millettia racemosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18306	Juniperus thurifera	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7090	Ammi majus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7946	Navicula delognei	Species	Berkeleyaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26868	Diphylleia sinensis	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13963	Laurencia elata	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5200	Diphylleia grayi	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17385	Magnolia acuminata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15358	Entandrophragma cylindricum	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16293	Babylonia japonica	Species	Buccinidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22413	Dysosma aurantiocaulis	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23848	Podophyllum peltatum	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19127	Citrus tankan	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO30053	Podophyllum emodll	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23848	Podophyllum peltatum	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19127	Citrus tankan	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO16653	Matteuccia struthiopteris	Species	Onocleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5200	Diphylleia grayi	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21891	Panax notoginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22208	Spiraea mongolica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26868	Diphylleia sinensis	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7090	Ammi majus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17385	Magnolia acuminata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21891	Panax notoginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO10903	Sinopodophyllum hexandrum	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18847	Copaifera paupera	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18520	Helipterum strictum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18134	Heliobacterium modesticaldum	Species	Heliobacteriaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO16966	Leptospermum scoparium	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18377	Chaetomium retardatum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22413	Dysosma aurantiocaulis	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19127	Citrus tankan	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22208	Spiraea mongolica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17275	Chamaemelum scariosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22783	Pteris arguta	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21288	Ficus rumphii	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16653	Matteuccia struthiopteris	Species	Onocleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13594	Hippocratea indica	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5200	Diphylleia grayi	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12282	Parmelia conspersa	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5764	Ophioglossum vulgatum	Species	Ophioglossaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23074	Achillea grandifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7174	Callyspongia truncata	Species	Callyspongiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18707	Allium ursinum	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16829	Dunaliella acidophila	Species	Dunaliellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18061	Anacystis cyanea	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO11677	Lactobacillus acidophilus	Species	Lactobacillaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO10903	Sinopodophyllum hexandrum	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3675	Actinobole uliginosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12072	Escallonia philippiana	Species	Escalloniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26868	Diphylleia sinensis	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18381	Inula eupatorioides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3025	Schefflera capitata	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17839	Machaerium mucronulatum	Species	Dolichopodidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17068	Talaromyces wortmanni	Species	Trichocomaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11163	Methylobacterium organophilum	Species	Methylobacteriaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO19057	Lentinellus omphalodes	Species	Auriscalpiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7090	Ammi majus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11603	Lathyrus macrorrhizus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21938	Coleus carnosus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1362	Swertia paniculata	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21892	Eisenibacter elegans	Species	Microscillaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO18173	Pyrocystis lunula	Species	Pyrocystaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6738	Cladonia incrassata	Species	Cladoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10712	Tabebuia rosea	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17718	Artemisia schmidtiana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3050	Cladonia pseudodidyma	Species	Cladoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15358	Entandrophragma cylindricum	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11417	Gesneria cardinalis	Species	Crambidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18575	Ochtodes crockeri	Species	Rhizophyllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9604	Amycolatopsis lurida	Species	Pseudonocardiaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO9535	Cortinarius basirubescens	Species	Cortinariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22266	Fagus taurica	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16293	Babylonia japonica	Species	Buccinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12801	Aglaia meridionalis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1338	Arcangelisia gusanlung	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21302	Cladosporium herbarum	Species	Cladosporiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21891	Panax notoginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6893	Dimorphotheca sinuata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18792	Crotalaria lechnaultii	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18983	Cleidion brevipetiolatum	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17190	Senecio erraticus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23848	Podophyllum peltatum	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7807	Polyporus sulphureus	Species	Polyporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22726	Carthamus lanatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19189	Brickellia pendula	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4534	Croton nitens	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18242	Gleichenia glauca	Species	Gleicheniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7946	Navicula delognei	Species	Berkeleyaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17709	Timonius kaniensis	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17831	Millettia racemosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18306	Juniperus thurifera	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17802	Simmondsia chinensis	Species	Simmondsiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25454	Plumbago europaea	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17385	Magnolia acuminata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4464	Senecio mexicanus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19243	Sarcophyton decaryi	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21763	Parmotrema subisidiosum	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15608	Tanacetum santolina	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13152	Chalcas paniculata	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO13963	Laurencia elata	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17596	Ficus maxima	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22026	Sibthorpia africana	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3746	Hesperocyparis nevadensis	Species	Cupressaceae	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
IC50	6
Kd	282
Others	12
Potency	7

Activity Type	# Activity
Cell Line	8
Individual Protein	211
NON-MOLECULAR	1
Organism	5
Others	8
SINGLE PROTEIN	74

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT168	Cell Line	P388	Mus musculus	IC50	=	60.0	nM	PMID[494287]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	60.0	nM	PMID[494287]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	60.0	nM	PMID[494287]
NPT189	Cell Line	Vero	Chlorocebus aethiops	Activity	=	15.0	%	PMID[494289]
NPT189	Cell Line	Vero	Chlorocebus aethiops	Activity	=	89.9	%	PMID[494289]
NPT168	Cell Line	P388	Mus musculus	IC50	=	6000.0	nM	PMID[494290]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	6000.0	nM	PMID[494290]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	6000.0	nM	PMID[494290]
NPT150	Individual Protein	Anthrax lethal factor	Bacillus anthracis	Potency	=	3162.3	nM	PMID[494291]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	9200.0	nM	PMID[494291]
NPT135	Individual Protein	Chromobox protein homolog 1	Homo sapiens	Potency	n.a.	100000.0	nM	PMID[494291]
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	27.09	%	PMID[494292]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	25.1	nM	PMID[494291]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	70.8	nM	PMID[494291]
NPT3228	Individual Protein	Adaptor-associated kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2729	Individual Protein	Tyrosine-protein kinase ABL	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3214	Individual Protein	Tyrosine-protein kinase ABL2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT6548	Individual Protein	Actin-related protein 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3287	Individual Protein	Activin receptor type-1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3293	Individual Protein	Activin receptor type-1B	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3295	Individual Protein	Activin receptor type-2B	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3305	Individual Protein	Chaperone activity of bc1 complex-like, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2603	Individual Protein	Adenosine kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT4031	Individual Protein	G-protein coupled receptor kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1430	Individual Protein	Serine/threonine-protein kinase AKT2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2546	Individual Protein	Serine/threonine-protein kinase AKT3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1432	Individual Protein	Serine/threonine-protein kinase Aurora-A	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1433	Individual Protein	Serine/threonine-protein kinase Aurora-B	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3210	Individual Protein	BMP-2-inducible protein kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3313	Individual Protein	Bone morphogenetic protein receptor type-1A	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3385	Individual Protein	Bone morphogenetic protein receptor type-1B	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3314	Individual Protein	Bone morphogenetic protein receptor type-2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1434	Individual Protein	Serine/threonine-protein kinase B-raf	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1675	Individual Protein	CaM kinase II delta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1676	Individual Protein	CaM kinase II gamma	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1677	Individual Protein	CaM kinase IV	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1678	Individual Protein	CaM-kinase kinase beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3329	Individual Protein	Serine/threonine-protein kinase MRCK-A	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3330	Individual Protein	Serine/threonine-protein kinase MRCK beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3306	Individual Protein	Serine/threonine-protein kinase MRCK gamma	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3458	Individual Protein	Cell division cycle 7-related protein kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1423	Individual Protein	Cyclin-dependent kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1698	Individual Protein	Serine/threonine-protein kinase PCTAIRE-1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3250	Individual Protein	Serine/threonine-protein kinase PCTAIRE-2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1371	Individual Protein	Cyclin-dependent kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3345	Individual Protein	Cyclin-dependent kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2213	Individual Protein	Cyclin-dependent kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3240	Individual Protein	Cyclin-dependent kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1571	Individual Protein	Cyclin-dependent kinase 6	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3346	Individual Protein	Cyclin-dependent kinase 7	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3347	Individual Protein	Cyclin-dependent kinase 9	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1608	Individual Protein	Serine/threonine-protein kinase Chk1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3334	Individual Protein	Citron Rho-interacting kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3113	Individual Protein	Tyrosine-protein kinase CSK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3168	Individual Protein	Casein kinase I alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3266	Individual Protein	Casein kinase I delta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3226	Individual Protein	Casein kinase I epsilon	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1684	Individual Protein	Casein kinase I gamma 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1685	Individual Protein	Casein kinase I gamma 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1686	Individual Protein	Casein kinase I isoform gamma-3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3273	Individual Protein	Casein kinase II alpha (prime)	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3560	Individual Protein	Deoxycytidine kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT5825	Individual Protein	dCTP pyrophosphatase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3342	Individual Protein	Epithelial discoidin domain-containing receptor 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3303	Individual Protein	Discoidin domain-containing receptor 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3114	Individual Protein	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT285	Individual Protein	Epidermal growth factor receptor erbB1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3420	Individual Protein	Eukaryotic translation initiation factor 2-alpha kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3354	Individual Protein	Ephrin type-A receptor 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3225	Individual Protein	Ephrin type-A receptor 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3218	Individual Protein	Ephrin type-A receptor 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3219	Individual Protein	Ephrin type-A receptor 5	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3211	Individual Protein	Ephrin type-A receptor 7	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2941	Individual Protein	Ephrin type-B receptor 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3359	Individual Protein	Ephrin type-B receptor 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2572	Individual Protein	Ephrin type-B receptor 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3404	Individual Protein	Ephrin type-B receptor 6	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1890	Individual Protein	Serine/threonine-protein kinase/endoribonuclease IRE1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3244	Individual Protein	Tyrosine-protein kinase FER	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1437	Individual Protein	Tyrosine-protein kinase FES	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1480	Individual Protein	Fibroblast growth factor receptor 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1650	Individual Protein	Tyrosine-protein kinase receptor FLT3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3204	Individual Protein	Tyrosine-protein kinase FRK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT14	Individual Protein	Tyrosine-protein kinase FYN	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3221	Individual Protein	Serine/threonine-protein kinase GAK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT591	Individual Protein	Glycogen synthase kinase-3 beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3205	Individual Protein	Tyrosine-protein kinase HCK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3423	Individual Protein	Serine/threonine-protein kinase ICK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1438	Individual Protein	Insulin-like growth factor I receptor	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3275	Individual Protein	Inhibitor of nuclear factor kappa B kinase epsilon subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2817	Individual Protein	Inosine-5'-monophosphate dehydrogenase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2574	Individual Protein	Insulin receptor	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3386	Individual Protein	Interleukin-1 receptor-associated kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3288	Individual Protein	Interleukin-1 receptor-associated kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3425	Individual Protein	Interleukin-1 receptor-associated kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1689	Individual Protein	Tyrosine-protein kinase JAK1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3307	Individual Protein	Serine/threonine-protein kinase LATS1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT13	Individual Protein	Tyrosine-protein kinase LCK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3242	Individual Protein	LIM domain kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3278	Individual Protein	LIM domain kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3111	Individual Protein	Tyrosine-protein kinase Lyn	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT491	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1690	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3281	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3440	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1691	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 6	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3411	Individual Protein	Mitogen-activated protein kinase kinase kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3328	Individual Protein	Mitogen-activated protein kinase kinase kinase 11	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3413	Individual Protein	Mitogen-activated protein kinase kinase kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3389	Individual Protein	Mitogen-activated protein kinase kinase kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3209	Individual Protein	Mitogen-activated protein kinase kinase kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1431	Individual Protein	Mitogen-activated protein kinase kinase kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3407	Individual Protein	Mitogen-activated protein kinase kinase kinase 6	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3310	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3406	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3311	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3316	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3109	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3207	Individual Protein	c-Jun N-terminal kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1616	Individual Protein	MAP kinase p38 beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT283	Individual Protein	MAP kinase p38 alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3363	Individual Protein	Mitogen-activated protein kinase 15	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT281	Individual Protein	MAP kinase ERK1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3362	Individual Protein	Mitogen-activated protein kinase 7	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1426	Individual Protein	c-Jun N-terminal kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1427	Individual Protein	c-Jun N-terminal kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1441	Individual Protein	MAP kinase-activated protein kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1612	Individual Protein	MAP kinase-activated protein kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3235	Individual Protein	MAP/microtubule affinity-regulating kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3280	Individual Protein	Serine/threonine-protein kinase c-TAK1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3282	Individual Protein	Maternal embryonic leucine zipper kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1337	Individual Protein	Hepatocyte growth factor receptor	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3390	Individual Protein	Macrophage-stimulating protein receptor	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2626	Individual Protein	Myosin light chain kinase, smooth muscle	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3446	Individual Protein	Myosin light chain kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3340	Individual Protein	Serine/threonine-protein kinase Nek1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1658	Individual Protein	Serine/threonine-protein kinase NEK2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3391	Individual Protein	Serine/threonine-protein kinase Nek3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3241	Individual Protein	Serine/threonine-protein kinase NEK9	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3285	Individual Protein	Serine/threonine protein kinase NLK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT366	Individual Protein	Quinone reductase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3239	Individual Protein	Nerve growth factor receptor Trk-A	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3348	Individual Protein	NUAK family SNF1-like kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1442	Individual Protein	Serine/threonine-protein kinase PAK 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1695	Individual Protein	Serine/threonine-protein kinase PAK 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2575	Individual Protein	Platelet-derived growth factor receptor beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3223	Individual Protein	Phosphorylase kinase gamma subunit 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1265	Individual Protein	Serine/threonine-protein kinase PIM1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1700	Individual Protein	Serine/threonine-protein kinase PIM2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3433	Individual Protein	Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3249	Individual Protein	Tyrosine- and threonine-specific cdc2-inhibitory kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1656	Individual Protein	Protein kinase N1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3357	Individual Protein	Protein kinase N2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1702	Individual Protein	Serine/threonine-protein kinase PLK4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3222	Individual Protein	AMP-activated protein kinase, alpha-1 subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1703	Individual Protein	cAMP-dependent protein kinase alpha-catalytic subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3261	Individual Protein	cAMP-dependent protein kinase beta-1 catalytic subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT182	Individual Protein	Protein kinase C alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3394	Individual Protein	Protein kinase C iota	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3365	Individual Protein	Serine/threonine-protein kinase D2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3366	Individual Protein	Protein kinase C nu	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3367	Individual Protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1436	Individual Protein	Focal adhesion kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3263	Individual Protein	Protein tyrosine kinase 2 beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3215	Individual Protein	Tyrosine-protein kinase BRK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2824	Individual Protein	Brain glycogen phosphorylase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1667	Individual Protein	Liver glycogen phosphorylase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3370	Individual Protein	Tyrosine-protein kinase receptor RET	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1447	Individual Protein	Serine/threonine-protein kinase RIPK2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT592	Individual Protein	Rho-associated protein kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3107	Individual Protein	Rho-associated protein kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3106	Individual Protein	Ribosomal protein S6 kinase alpha 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1705	Individual Protein	Ribosomal protein S6 kinase alpha 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3374	Individual Protein	Ribosomal protein S6 kinase alpha 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1613	Individual Protein	Ribosomal protein S6 kinase alpha 5	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3254	Individual Protein	Ribosomal protein S6 kinase alpha 6	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1611	Individual Protein	Ribosomal protein S6 kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3290	Individual Protein	Serine/threonine-protein kinase SIK2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3378	Individual Protein	Serine/threonine-protein kinase SIK3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1706	Individual Protein	Serine/threonine-protein kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT36	Individual Protein	Tyrosine-protein kinase SRC	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1707	Individual Protein	Serine/threonine-protein kinase 10	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3279	Individual Protein	Serine/threonine-protein kinase 11	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1708	Individual Protein	Serine/threonine-protein kinase 16	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3332	Individual Protein	Serine/threonine-protein kinase 24	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1693	Individual Protein	Serine/threonine-protein kinase MST4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3331	Individual Protein	Serine/threonine-protein kinase MST2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1710	Individual Protein	Serine/threonine-protein kinase 38	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1711	Individual Protein	Serine/threonine-protein kinase MST1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1449	Individual Protein	Tyrosine-protein kinase SYK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3431	Individual Protein	Serine/threonine-protein kinase TAO1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3426	Individual Protein	Serine/threonine-protein kinase TAO2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3427	Individual Protein	Serine/threonine-protein kinase TAO3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3417	Individual Protein	Serine/threonine-protein kinase TBK1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3351	Individual Protein	Tyrosine-protein kinase TEC	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3352	Individual Protein	Dual specificity testis-specific protein kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3353	Individual Protein	TGF-beta receptor type I	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3355	Individual Protein	TGF-beta receptor type II	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1712	Individual Protein	TRAF2- and NCK-interacting kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3297	Individual Protein	Non-receptor tyrosine-protein kinase TNK1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3245	Individual Protein	Tyrosine kinase non-receptor protein 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1044	Individual Protein	DNA topoisomerase II alpha	Homo sapiens	Kd	=	486.0	nM	PMID[494294]
NPT322	Individual Protein	DNA topoisomerase II beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3238	Individual Protein	Dual specificity protein kinase TTK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3276	Individual Protein	Tyrosine-protein kinase TYK2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3382	Individual Protein	Serine/threonine-protein kinase ULK3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3256	Individual Protein	Serine/threonine-protein kinase WEE1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT5472	Individual Protein	Tyrosyl-tRNA synthetase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT1663	Individual Protein	Tyrosine-protein kinase YES	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT3258	Individual Protein	Mixed lineage kinase 7	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	Activity	=	1.9	uM	PMID[494288]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	140.0	uM	PMID[494288]
NPT27	Others	Unspecified		TI	=	75.0	n.a.	PMID[494288]
NPT1049	Organism	Measles virus	Measles virus	Activity	=	5.0	%	PMID[494289]
NPT1049	Organism	Measles virus	Measles virus	Activity	=	100.0	%	PMID[494289]
NPT1049	Organism	Measles virus	Measles virus	Activity	=	41.5	%	PMID[494289]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	Activity	=	84.4	%	PMID[494289]
NPT8	Individual Protein	DNA polymerase iota	Homo sapiens	Potency	n.a.	79432.8	nM	PMID[494291]
NPT67	Individual Protein	Cholinesterase	Equus caballus	Inhibition	=	-2.7	%	PMID[494292]
NPT2	Others	Unspecified		Potency	n.a.	2238.7	nM	PMID[494291]
NPT2	Others	Unspecified		ID50	=	30.0	uM	PMID[494293]
NPT24253	SINGLE PROTEIN	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24254	SINGLE PROTEIN	Peroxisomal acyl-coenzyme A oxidase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24255	SINGLE PROTEIN	Peroxisomal acyl-coenzyme A oxidase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24256	SINGLE PROTEIN	Long-chain-fatty-acid--CoA ligase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24257	SINGLE PROTEIN	Actin-related protein 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24258	SINGLE PROTEIN	Uncharacterized aarF domain-containing protein kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24261	SINGLE PROTEIN	Adenylate kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT728	Individual Protein	Serine/threonine-protein kinase AKT	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24262	SINGLE PROTEIN	Adenine phosphoribosyltransferase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24263	SINGLE PROTEIN	Serine/threonine-protein kinase A-Raf	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24264	SINGLE PROTEIN	Breakpoint cluster region protein	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT833	Individual Protein	Tyrosine-protein kinase BTK	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24266	SINGLE PROTEIN	Mitotic checkpoint serine/threonine-protein kinase BUB1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24267	SINGLE PROTEIN	Cysteine--tRNA ligase, cytoplasmic	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24268	SINGLE PROTEIN	Cyclin-dependent kinase 10	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24269	SINGLE PROTEIN	Cyclin-dependent kinase 12	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24271	SINGLE PROTEIN	Chromodomain-helicase-DNA-binding protein 4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24272	SINGLE PROTEIN	UMP-CMP kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT2	Others	Unspecified		Kd	>	30000.0	nM	PMID[494294]
NPT24273	SINGLE PROTEIN	Cytochrome c1, heme protein, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24276	SINGLE PROTEIN	ATP-dependent RNA helicase DDX1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24277	SINGLE PROTEIN	ATP-dependent RNA helicase DDX3X	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24278	SINGLE PROTEIN	ATP-dependent RNA helicase DDX42	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24279	SINGLE PROTEIN	Probable ATP-dependent RNA helicase DDX6	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24280	SINGLE PROTEIN	Delta(24)-sterol reductase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24281	SINGLE PROTEIN	DnaJ homolog subfamily A member 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24284	SINGLE PROTEIN	General transcription and DNA repair factor IIH helicase subunit XPD	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24285	SINGLE PROTEIN	Serine/threonine-protein kinase/endoribonuclease IRE2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24286	SINGLE PROTEIN	Electron transfer flavoprotein subunit beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24287	SINGLE PROTEIN	Phenylalanine--tRNA ligase beta subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT22192	SINGLE PROTEIN	Ferrochelatase, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24288	SINGLE PROTEIN	Glycine--tRNA ligase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT25848	SINGLE PROTEIN	Guanine nucleotide-binding protein G(i) subunit alpha-2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT676	Individual Protein	Glycogen synthase kinase-3 alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24289	SINGLE PROTEIN	Nucleolar GTP-binding protein 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24290	SINGLE PROTEIN	Heme oxygenase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24291	SINGLE PROTEIN	Putative heat shock protein HSP 90-beta 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24292	SINGLE PROTEIN	Isoleucine--tRNA ligase, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24294	SINGLE PROTEIN	Serine/threonine-protein kinase ILK-1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24299	SINGLE PROTEIN	S-adenosylmethionine synthase isoform type-2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24300	SINGLE PROTEIN	DNA replication licensing factor MCM4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24301	SINGLE PROTEIN	Midasin	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24302	SINGLE PROTEIN	Myosin-10	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24303	SINGLE PROTEIN	Myosin-14	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24305	SINGLE PROTEIN	RNA cytidine acetyltransferase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24306	SINGLE PROTEIN	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24307	SINGLE PROTEIN	Obg-like ATPase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24308	SINGLE PROTEIN	Dynamin-like 120 kDa protein, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24309	SINGLE PROTEIN	Multifunctional protein ADE2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24311	SINGLE PROTEIN	Pyridoxal kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24312	SINGLE PROTEIN	Phosphatidylethanolamine-binding protein 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24313	SINGLE PROTEIN	Phosphofructokinase platelet type	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT25961	SINGLE PROTEIN	Membrane-associated progesterone receptor component 1	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24314	SINGLE PROTEIN	Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24316	SINGLE PROTEIN	cAMP-dependent protein kinase, gamma catalytic subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24317	SINGLE PROTEIN	AMP-activated protein kinase, gamma-1 subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24318	SINGLE PROTEIN	AMP-activated protein kinase, gamma-2 subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24319	SINGLE PROTEIN	cAMP-dependent protein kinase type II-alpha regulatory subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT760	Individual Protein	Protein kinase C beta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT881	Individual Protein	Protein kinase C delta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT887	Individual Protein	Protein kinase C theta	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24320	SINGLE PROTEIN	26S protease regulatory subunit 6B	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24322	SINGLE PROTEIN	Uncharacterized protein FLJ45252	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24323	SINGLE PROTEIN	Ras-related protein Rab-10	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24324	SINGLE PROTEIN	Ras-related protein Rab-27A	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT25850	SINGLE PROTEIN	Ras-related protein Rab-6A	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24325	SINGLE PROTEIN	Rab-like protein 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24326	SINGLE PROTEIN	GTP-binding nuclear protein Ran	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24327	SINGLE PROTEIN	Receptor-interacting serine/threonine-protein kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24328	SINGLE PROTEIN	Septin-9	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24330	SINGLE PROTEIN	Exosome RNA helicase MTR4	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24331	SINGLE PROTEIN	ADP/ATP translocase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24332	SINGLE PROTEIN	ADP/ATP translocase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24333	SINGLE PROTEIN	Structural maintenance of chromosomes protein 1A	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24334	SINGLE PROTEIN	Structural maintenance of chromosomes protein 2	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24335	SINGLE PROTEIN	U5 small nuclear ribonucleoprotein 200 kDa helicase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24336	SINGLE PROTEIN	Signal recognition particle receptor subunit alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24337	SINGLE PROTEIN	STE20-related kinase adapter protein alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT25895	SINGLE PROTEIN	Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24340	SINGLE PROTEIN	TP53-regulating kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]
NPT24341	SINGLE PROTEIN	Elongation factor Tu, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[494294]

☑ 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 NPC32373 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	327
0.1-0.2	1336
0.2-0.3	2987
0.3-0.4	6523
0.4-0.5	10995
0.5-0.6	5495
0.6-0.7	7776
0.7-0.8	6618
0.8-0.85	466
0.85-0.9	111
0.9-0.95	47
0.95-1	16

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC237946
0.9933	High Similarity	NPC207584
0.9933	High Similarity	NPC19947
0.9801	High Similarity	NPC119910
0.9801	High Similarity	NPC91634
0.9801	High Similarity	NPC268718
0.9801	High Similarity	NPC150943
0.9797	High Similarity	NPC245948
0.9737	High Similarity	NPC288149
0.9671	High Similarity	NPC96593
0.9662	High Similarity	NPC210642
0.9662	High Similarity	NPC13985
0.961	High Similarity	NPC14294
0.961	High Similarity	NPC116759
0.9608	High Similarity	NPC100465
0.9608	High Similarity	NPC152424
0.9539	High Similarity	NPC163527
0.9539	High Similarity	NPC181168
0.9539	High Similarity	NPC115281
0.9481	High Similarity	NPC115624
0.947	High Similarity	NPC103197
0.947	High Similarity	NPC30009
0.947	High Similarity	NPC273578
0.9463	High Similarity	NPC149505
0.9427	High Similarity	NPC185498
0.9423	High Similarity	NPC222531
0.9404	High Similarity	NPC178574
0.9404	High Similarity	NPC65591
0.9392	High Similarity	NPC80230
0.9392	High Similarity	NPC304687
0.9392	High Similarity	NPC104024
0.9392	High Similarity	NPC65574
0.9392	High Similarity	NPC101755
0.9363	High Similarity	NPC306475
0.9338	High Similarity	NPC56184
0.9308	High Similarity	NPC179240
0.9267	High Similarity	NPC262455
0.9267	High Similarity	NPC177476
0.9267	High Similarity	NPC477698
0.9216	High Similarity	NPC136757
0.9145	High Similarity	NPC303519
0.9145	High Similarity	NPC164082
0.9139	High Similarity	NPC477695
0.9139	High Similarity	NPC474965
0.9139	High Similarity	NPC293757
0.9139	High Similarity	NPC668
0.9139	High Similarity	NPC174512
0.9119	High Similarity	NPC174734
0.9119	High Similarity	NPC474042
0.9085	High Similarity	NPC477699
0.9079	High Similarity	NPC473989
0.9079	High Similarity	NPC24425
0.9073	High Similarity	NPC304821
0.9054	High Similarity	NPC40237
0.9054	High Similarity	NPC287124
0.9054	High Similarity	NPC151423
0.902	High Similarity	NPC477700
0.9013	High Similarity	NPC145569
0.9013	High Similarity	NPC216223
0.9006	High Similarity	NPC117911
0.8968	High Similarity	NPC178195
0.8968	High Similarity	NPC312763
0.8968	High Similarity	NPC348849
0.8947	High Similarity	NPC325720
0.8947	High Similarity	NPC316676
0.8947	High Similarity	NPC40654
0.8947	High Similarity	NPC262804
0.894	High Similarity	NPC3982
0.894	High Similarity	NPC212890
0.8933	High Similarity	NPC92693
0.8933	High Similarity	NPC166884
0.8933	High Similarity	NPC477701
0.8933	High Similarity	NPC141569
0.8933	High Similarity	NPC218841
0.8933	High Similarity	NPC475000
0.8926	High Similarity	NPC176586
0.8926	High Similarity	NPC210354
0.8924	High Similarity	NPC474770
0.891	High Similarity	NPC238834
0.8896	High Similarity	NPC32079
0.8889	High Similarity	NPC125570
0.8874	High Similarity	NPC477702
0.8867	High Similarity	NPC474288
0.8861	High Similarity	NPC474043
0.8846	High Similarity	NPC473425
0.8827	High Similarity	NPC79322
0.8816	High Similarity	NPC193779
0.8812	High Similarity	NPC22130
0.8812	High Similarity	NPC116838
0.8808	High Similarity	NPC177644
0.8808	High Similarity	NPC191158
0.8805	High Similarity	NPC470637
0.879	High Similarity	NPC234730
0.8782	High Similarity	NPC473236
0.8782	High Similarity	NPC474606
0.8782	High Similarity	NPC24562
0.8774	High Similarity	NPC475756
0.8758	High Similarity	NPC475865
0.875	High Similarity	NPC258322
0.875	High Similarity	NPC209411
0.875	High Similarity	NPC475868
0.875	High Similarity	NPC239890
0.875	High Similarity	NPC191352
0.8742	High Similarity	NPC470811
0.8742	High Similarity	NPC477696
0.8742	High Similarity	NPC477697
0.8735	High Similarity	NPC196771
0.8734	High Similarity	NPC478055
0.8726	High Similarity	NPC198461
0.8718	High Similarity	NPC471154
0.8718	High Similarity	NPC476434
0.8716	High Similarity	NPC11453
0.8712	High Similarity	NPC471180
0.8712	High Similarity	NPC311912
0.871	High Similarity	NPC229882
0.871	High Similarity	NPC158635
0.8693	High Similarity	NPC33832
0.8693	High Similarity	NPC321958
0.8693	High Similarity	NPC321696
0.8684	High Similarity	NPC239254
0.8684	High Similarity	NPC172171
0.8671	High Similarity	NPC186316
0.8667	High Similarity	NPC471921
0.8667	High Similarity	NPC312006
0.8667	High Similarity	NPC20114
0.8667	High Similarity	NPC46591
0.8667	High Similarity	NPC471922
0.8667	High Similarity	NPC474075
0.8667	High Similarity	NPC129930
0.8667	High Similarity	NPC114550
0.8667	High Similarity	NPC471920
0.8667	High Similarity	NPC292712
0.8662	High Similarity	NPC61604
0.8662	High Similarity	NPC245615
0.8662	High Similarity	NPC299706
0.8662	High Similarity	NPC115466
0.8659	High Similarity	NPC88557
0.8658	High Similarity	NPC283949
0.865	High Similarity	NPC320471
0.865	High Similarity	NPC118162
0.865	High Similarity	NPC83049
0.8649	High Similarity	NPC150534
0.8649	High Similarity	NPC72796
0.8649	High Similarity	NPC44245
0.8645	High Similarity	NPC85141
0.8636	High Similarity	NPC116019
0.8627	High Similarity	NPC327651
0.8627	High Similarity	NPC474158
0.8627	High Similarity	NPC318286
0.8625	High Similarity	NPC173726
0.8625	High Similarity	NPC241600
0.8623	High Similarity	NPC23593
0.8618	High Similarity	NPC273657
0.8618	High Similarity	NPC218510
0.8618	High Similarity	NPC106920
0.8618	High Similarity	NPC324962
0.8618	High Similarity	NPC76415
0.8616	High Similarity	NPC473323
0.8616	High Similarity	NPC239113
0.8616	High Similarity	NPC473900
0.8616	High Similarity	NPC29727
0.8616	High Similarity	NPC115123
0.8614	High Similarity	NPC184624
0.8609	High Similarity	NPC162851
0.8609	High Similarity	NPC246474
0.8609	High Similarity	NPC218092
0.8599	High Similarity	NPC302610
0.859	High Similarity	NPC218041
0.859	High Similarity	NPC185955
0.859	High Similarity	NPC469706
0.859	High Similarity	NPC214326
0.859	High Similarity	NPC469707
0.859	High Similarity	NPC145979
0.859	High Similarity	NPC9933
0.859	High Similarity	NPC225815
0.859	High Similarity	NPC260781
0.859	High Similarity	NPC182368
0.858	High Similarity	NPC198796
0.8571	High Similarity	NPC87295
0.8571	High Similarity	NPC63061
0.8563	High Similarity	NPC107739
0.8562	High Similarity	NPC27159
0.8562	High Similarity	NPC326144
0.8554	High Similarity	NPC471181
0.8553	High Similarity	NPC229172
0.8553	High Similarity	NPC191231
0.8553	High Similarity	NPC38699
0.8553	High Similarity	NPC230538
0.8553	High Similarity	NPC103637
0.8553	High Similarity	NPC476065
0.8553	High Similarity	NPC52664
0.8553	High Similarity	NPC36531
0.8544	High Similarity	NPC126405
0.8544	High Similarity	NPC77237
0.8544	High Similarity	NPC217708
0.8544	High Similarity	NPC53669
0.8544	High Similarity	NPC297271
0.8544	High Similarity	NPC308739
0.8544	High Similarity	NPC474514
0.8544	High Similarity	NPC16791

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 NPC32373 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	277
0.1-0.2	833
0.2-0.3	1708
0.3-0.4	2591
0.4-0.5	2078
0.5-0.6	1038
0.6-0.7	515
0.7-0.8	97
0.8-0.85	5
0.85-0.9	3
0.9-0.95	1
0.95-1	4

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD4965	Approved
1.0	High Similarity	NPD4967	Phase 2
1.0	High Similarity	NPD4966	Approved
0.9797	High Similarity	NPD37	Approved
0.9735	High Similarity	NPD6234	Discontinued
0.9427	High Similarity	NPD7228	Approved
0.9074	High Similarity	NPD7240	Approved
0.8868	High Similarity	NPD7199	Phase 2
0.8642	High Similarity	NPD7184	Clinical (unspecified phase)
0.8462	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.8409	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.8269	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.8222	Intermediate Similarity	NPD7680	Approved
0.8198	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.8133	Intermediate Similarity	NPD6232	Discontinued
0.8113	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.8107	Intermediate Similarity	NPD5844	Phase 1
0.8095	Intermediate Similarity	NPD7473	Discontinued
0.8047	Intermediate Similarity	NPD3818	Discontinued
0.7939	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7785	Intermediate Similarity	NPD6674	Discontinued
0.7763	Intermediate Similarity	NPD3027	Phase 3
0.7759	Intermediate Similarity	NPD6559	Discontinued
0.7751	Intermediate Similarity	NPD8127	Discontinued
0.7746	Intermediate Similarity	NPD7074	Phase 3
0.7714	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7706	Intermediate Similarity	NPD7229	Phase 3
0.7703	Intermediate Similarity	NPD3705	Approved
0.7688	Intermediate Similarity	NPD7054	Approved
0.7654	Intermediate Similarity	NPD2534	Approved
0.7654	Intermediate Similarity	NPD2532	Approved
0.7654	Intermediate Similarity	NPD2533	Approved
0.7644	Intermediate Similarity	NPD7472	Approved
0.7622	Intermediate Similarity	NPD1653	Approved
0.7605	Intermediate Similarity	NPD1465	Phase 2
0.7605	Intermediate Similarity	NPD8455	Phase 2
0.7588	Intermediate Similarity	NPD5494	Approved
0.756	Intermediate Similarity	NPD3817	Phase 2
0.7557	Intermediate Similarity	NPD7685	Pre-registration
0.7556	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7546	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD1934	Approved
0.753	Intermediate Similarity	NPD7028	Phase 2
0.7516	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD4110	Phase 3
0.7514	Intermediate Similarity	NPD6166	Phase 2
0.7514	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD7808	Phase 3
0.75	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7819	Suspended
0.75	Intermediate Similarity	NPD3787	Discontinued
0.75	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7827	Phase 1
0.75	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6797	Phase 2
0.75	Intermediate Similarity	NPD1613	Approved
0.7484	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD2438	Suspended
0.7473	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7472	Intermediate Similarity	NPD8312	Approved
0.7472	Intermediate Similarity	NPD8313	Approved
0.7471	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD6190	Approved
0.7458	Intermediate Similarity	NPD7251	Discontinued
0.7438	Intermediate Similarity	NPD7266	Discontinued
0.7412	Intermediate Similarity	NPD3882	Suspended
0.7407	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD2801	Approved
0.7391	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD3620	Phase 2
0.7389	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD7097	Phase 1
0.7342	Intermediate Similarity	NPD6355	Discontinued
0.7341	Intermediate Similarity	NPD6959	Discontinued
0.733	Intermediate Similarity	NPD3751	Discontinued
0.7329	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD6004	Phase 3
0.7329	Intermediate Similarity	NPD6002	Phase 3
0.7329	Intermediate Similarity	NPD6005	Phase 3
0.7321	Intermediate Similarity	NPD4380	Phase 2
0.732	Intermediate Similarity	NPD1283	Approved
0.7302	Intermediate Similarity	NPD5006	Approved
0.7302	Intermediate Similarity	NPD5005	Approved
0.7301	Intermediate Similarity	NPD3750	Approved
0.7301	Intermediate Similarity	NPD4628	Phase 3
0.729	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD6273	Approved
0.7288	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD7296	Approved
0.7278	Intermediate Similarity	NPD4140	Approved
0.7278	Intermediate Similarity	NPD2979	Phase 3
0.7278	Intermediate Similarity	NPD4060	Phase 1
0.7267	Intermediate Similarity	NPD6100	Approved
0.7267	Intermediate Similarity	NPD6099	Approved
0.7267	Intermediate Similarity	NPD7075	Discontinued
0.7262	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD7458	Discontinued
0.7261	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD6798	Discontinued
0.7254	Intermediate Similarity	NPD8151	Discontinued
0.7251	Intermediate Similarity	NPD5402	Approved
0.7244	Intermediate Similarity	NPD4908	Phase 1
0.7244	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD6801	Discontinued
0.7233	Intermediate Similarity	NPD230	Phase 1
0.7222	Intermediate Similarity	NPD5762	Approved
0.7222	Intermediate Similarity	NPD5763	Approved
0.7215	Intermediate Similarity	NPD6663	Approved
0.7215	Intermediate Similarity	NPD6233	Phase 2
0.7193	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD4420	Approved
0.7176	Intermediate Similarity	NPD7411	Suspended
0.716	Intermediate Similarity	NPD3226	Approved
0.7158	Intermediate Similarity	NPD8434	Phase 2
0.7152	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD3764	Approved
0.7152	Intermediate Similarity	NPD1357	Approved
0.7151	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD1281	Approved
0.7115	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD7768	Phase 2
0.7107	Intermediate Similarity	NPD8032	Phase 2
0.7102	Intermediate Similarity	NPD5710	Approved
0.7102	Intermediate Similarity	NPD5711	Approved
0.7099	Intermediate Similarity	NPD3748	Approved
0.7099	Intermediate Similarity	NPD7033	Discontinued
0.7091	Intermediate Similarity	NPD8166	Discontinued
0.7091	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD4625	Phase 3
0.7086	Intermediate Similarity	NPD6746	Phase 2
0.7083	Intermediate Similarity	NPD7435	Discontinued
0.7078	Intermediate Similarity	NPD1608	Approved
0.707	Intermediate Similarity	NPD3018	Phase 2
0.707	Intermediate Similarity	NPD5736	Approved
0.7069	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD3749	Approved
0.7066	Intermediate Similarity	NPD1511	Approved
0.7062	Intermediate Similarity	NPD5242	Approved
0.7055	Intermediate Similarity	NPD2935	Discontinued
0.7052	Intermediate Similarity	NPD5353	Approved
0.7051	Intermediate Similarity	NPD2797	Approved
0.7048	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD5403	Approved
0.7032	Intermediate Similarity	NPD2982	Phase 2
0.7032	Intermediate Similarity	NPD2983	Phase 2
0.703	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD919	Approved
0.7024	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD5735	Approved
0.7019	Intermediate Similarity	NPD5124	Phase 1
0.7018	Intermediate Similarity	NPD6599	Discontinued
0.7016	Intermediate Similarity	NPD6778	Approved
0.7016	Intermediate Similarity	NPD6781	Approved
0.7016	Intermediate Similarity	NPD6780	Approved
0.7016	Intermediate Similarity	NPD6777	Approved
0.7016	Intermediate Similarity	NPD6782	Approved
0.7016	Intermediate Similarity	NPD6776	Approved
0.7016	Intermediate Similarity	NPD6779	Approved
0.7013	Intermediate Similarity	NPD1610	Phase 2
0.6993	Remote Similarity	NPD5126	Approved
0.6993	Remote Similarity	NPD5125	Phase 3
0.6988	Remote Similarity	NPD7003	Approved
0.6982	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD1512	Approved
0.6981	Remote Similarity	NPD7095	Approved
0.6981	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.698	Remote Similarity	NPD5283	Phase 1
0.6975	Remote Similarity	NPD6653	Approved
0.6968	Remote Similarity	NPD2981	Phase 2
0.6966	Remote Similarity	NPD3926	Phase 2
0.6964	Remote Similarity	NPD4357	Discontinued
0.6964	Remote Similarity	NPD6799	Approved
0.6962	Remote Similarity	NPD2861	Phase 2
0.6959	Remote Similarity	NPD4005	Discontinued
0.6951	Remote Similarity	NPD2531	Phase 2
0.6943	Remote Similarity	NPD6823	Phase 2
0.694	Remote Similarity	NPD7549	Discontinued
0.6937	Remote Similarity	NPD3268	Approved
0.6928	Remote Similarity	NPD1651	Approved
0.6927	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4749	Approved
0.6923	Remote Similarity	NPD5401	Approved
0.6923	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD7783	Phase 2
0.6919	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD3657	Discovery
0.6914	Remote Similarity	NPD447	Suspended
0.6914	Remote Similarity	NPD1933	Approved
0.6909	Remote Similarity	NPD2346	Discontinued
0.6909	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD7697	Approved
0.6907	Remote Similarity	NPD7698	Approved
0.6907	Remote Similarity	NPD7696	Phase 3

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