NPASS Compound

Structure

NPC136002 OpenBabel07101719242D 21 25 0 0 0 0 0 0 0 0999 V2000 -4.6778 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8857 -0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 -1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1915 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 -0.7045 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 0.0000 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3255 -1.3736 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 6 13 2 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 M CHG 1 19 1 M END $$$$

Physi-Chem Properties

Molecular Weight:	270.08
Volume:	281.521
LogP:	4.24
LogD:	3.585
LogS:	-6.403
# Rotatable Bonds:	0
TPSA:	34.89
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	3

MedChem Properties

QED Drug-Likeness Score:	0.43
Synthetic Accessibility Score:	2.271
Fsp3:	0.0
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Rejected
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:	1.601392614247743e-05
Pgp-inhibitor:	0.797
Pgp-substrate:	0.001
Human Intestinal Absorption (HIA):	0.004
20% Bioavailability (F20%):	0.047
30% Bioavailability (F30%):	0.111

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.75
Plasma Protein Binding (PPB):	98.01622009277344%
Volume Distribution (VD):	0.569
Pgp-substrate:	1.1876922845840454%

ADMET: Metabolism

CYP1A2-inhibitor:	0.97
CYP1A2-substrate:	0.399
CYP2C19-inhibitor:	0.682
CYP2C19-substrate:	0.141
CYP2C9-inhibitor:	0.711
CYP2C9-substrate:	0.625
CYP2D6-inhibitor:	0.085
CYP2D6-substrate:	0.447
CYP3A4-inhibitor:	0.739
CYP3A4-substrate:	0.344

ADMET: Excretion

Clearance (CL):	2.102
Half-life (T1/2):	0.121

ADMET: Toxicity

hERG Blockers:	0.135
Human Hepatotoxicity (H-HT):	0.732
Drug-inuced Liver Injury (DILI):	0.86
AMES Toxicity:	0.869
Rat Oral Acute Toxicity:	0.296
Maximum Recommended Daily Dose:	0.867
Skin Sensitization:	0.046
Carcinogencity:	0.868
Eye Corrosion:	0.003
Eye Irritation:	0.369
Respiratory Toxicity:	0.111

Download Data

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

Natural Product: NPC136002

Natural Product ID:	NPC136002
*Common Name:**	Fascaplysin
IUPAC Name:	n.a.
Synonyms:	Fascaplysin
Standard InCHIKey:	WYQIPCUPNMRAKP-UHFFFAOYSA-O
Standard InCHI:	InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
SMILES:	c1ccc2c(c1)c1-c(c3C(=O)c4ccccc4-n3cc1)[nH+]2
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL602937
PubChem CID:	73293
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000002] Organoheterocyclic compounds [CHEMONTID:0000211] Indoles and derivatives [CHEMONTID:0001213] Pyridoindoles [CHEMONTID:0001914] Beta carbolines

*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
NPO33161	hyrtios sp.	Species	Thorectidae	Eukaryota	n.a.	n.a.	n.a.	PMID[10514320]
NPO33161	hyrtios sp.	Species	Thorectidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15497952]
NPO33161	hyrtios sp.	Species	Thorectidae	Eukaryota	n.a.	n.a.	n.a.	PMID[17378531]
NPO33161	hyrtios sp.	Species	Thorectidae	Eukaryota	n.a.	n.a.	n.a.	PMID[19167886]
NPO33161	hyrtios sp.	Species	Thorectidae	Eukaryota	n.a.	n.a.	n.a.	PMID[19783432]
NPO33161	hyrtios sp.	Species	Thorectidae	Eukaryota	n.a.	Australian	n.a.	PMID[24973030]
NPO33161	hyrtios sp.	Species	Thorectidae	Eukaryota	n.a.	n.a.	n.a.	PMID[28834433]

☑ 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	1
EC50	3
IC50	13
Ki	2
Others	471

Activity Type	# Activity
Cell Line	5
Individual Protein	449
NON-MOLECULAR	1
Others	2
Protein Complex	33

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3317	Individual Protein	Serine/threonine-protein kinase MARK1	Homo sapiens	Residual Activity	=	80.0	%	PMID[519046]
NPT3317	Individual Protein	Serine/threonine-protein kinase MARK1	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT3419	Individual Protein	Serine/threonine-protein kinase SRPK3	Homo sapiens	Residual Activity	=	106.0	%	PMID[519046]
NPT3284	Individual Protein	Serine/threonine-protein kinase NEK7	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT3214	Individual Protein	Tyrosine-protein kinase ABL2	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1686	Individual Protein	Casein kinase I isoform gamma-3	Homo sapiens	Residual Activity	=	73.0	%	PMID[519046]
NPT3266	Individual Protein	Casein kinase I delta	Homo sapiens	Residual Activity	=	79.0	%	PMID[519046]
NPT1672	Individual Protein	CaM kinase I delta	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT1721	Individual Protein	Death-associated protein kinase 1	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT3218	Individual Protein	Ephrin type-A receptor 4	Homo sapiens	Residual Activity	=	104.0	%	PMID[519046]
NPT3219	Individual Protein	Ephrin type-A receptor 5	Homo sapiens	Residual Activity	=	116.0	%	PMID[519046]
NPT3227	Individual Protein	Fibroblast growth factor receptor 3	Homo sapiens	Residual Activity	=	114.0	%	PMID[519046]
NPT14	Individual Protein	Tyrosine-protein kinase FYN	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT14	Individual Protein	Tyrosine-protein kinase FYN	Homo sapiens	Residual Activity	=	76.0	%	PMID[519046]
NPT3205	Individual Protein	Tyrosine-protein kinase HCK	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT3205	Individual Protein	Tyrosine-protein kinase HCK	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT3207	Individual Protein	c-Jun N-terminal kinase 3	Homo sapiens	Residual Activity	=	71.0	%	PMID[519046]
NPT3207	Individual Protein	c-Jun N-terminal kinase 3	Homo sapiens	Residual Activity	=	62.0	%	PMID[519046]
NPT491	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT3419	Individual Protein	Serine/threonine-protein kinase SRPK3	Homo sapiens	Residual Activity	=	99.0	%	PMID[519046]
NPT1711	Individual Protein	Serine/threonine-protein kinase MST1	Homo sapiens	Residual Activity	=	108.0	%	PMID[519046]
NPT3284	Individual Protein	Serine/threonine-protein kinase NEK7	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT3285	Individual Protein	Serine/threonine protein kinase NLK	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT1432	Individual Protein	Serine/threonine-protein kinase Aurora-A	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT1432	Individual Protein	Serine/threonine-protein kinase Aurora-A	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT3266	Individual Protein	Casein kinase I delta	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT1721	Individual Protein	Death-associated protein kinase 1	Homo sapiens	Residual Activity	=	84.0	%	PMID[519046]
NPT3219	Individual Protein	Ephrin type-A receptor 5	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT3372	Individual Protein	Fibroblast growth factor receptor 4	Homo sapiens	Residual Activity	=	109.0	%	PMID[519046]
NPT3372	Individual Protein	Fibroblast growth factor receptor 4	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT3406	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 2	Homo sapiens	Residual Activity	=	75.0	%	PMID[519046]
NPT1438	Individual Protein	Insulin-like growth factor I receptor	Homo sapiens	Residual Activity	=	59.0	%	PMID[519046]
NPT1478	Individual Protein	Vascular endothelial growth factor receptor 2	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT491	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	Residual Activity	=	110.0	%	PMID[519046]
NPT1711	Individual Protein	Serine/threonine-protein kinase MST1	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT3285	Individual Protein	Serine/threonine protein kinase NLK	Homo sapiens	Residual Activity	=	70.0	%	PMID[519046]
NPT1433	Individual Protein	Serine/threonine-protein kinase Aurora-B	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT3236	Individual Protein	Death-associated protein kinase 2	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3236	Individual Protein	Death-associated protein kinase 2	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT3211	Individual Protein	Ephrin type-A receptor 7	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT3211	Individual Protein	Ephrin type-A receptor 7	Homo sapiens	Residual Activity	=	79.0	%	PMID[519046]
NPT3244	Individual Protein	Tyrosine-protein kinase FER	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT3406	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 2	Homo sapiens	Residual Activity	=	73.0	%	PMID[519046]
NPT3457	Individual Protein	G protein-coupled receptor kinase 5	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT1438	Individual Protein	Insulin-like growth factor I receptor	Homo sapiens	Residual Activity	=	67.0	%	PMID[519046]
NPT1438	Individual Protein	Insulin-like growth factor I receptor	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT2574	Individual Protein	Insulin receptor	Homo sapiens	Residual Activity	=	84.0	%	PMID[519046]
NPT1478	Individual Protein	Vascular endothelial growth factor receptor 2	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT3242	Individual Protein	LIM domain kinase 1	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT3282	Individual Protein	Maternal embryonic leucine zipper kinase	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT3282	Individual Protein	Maternal embryonic leucine zipper kinase	Homo sapiens	Residual Activity	=	67.0	%	PMID[519046]
NPT3331	Individual Protein	Serine/threonine-protein kinase MST2	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT3331	Individual Protein	Serine/threonine-protein kinase MST2	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT1442	Individual Protein	Serine/threonine-protein kinase PAK 2	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT1442	Individual Protein	Serine/threonine-protein kinase PAK 2	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT1433	Individual Protein	Serine/threonine-protein kinase Aurora-B	Homo sapiens	Residual Activity	=	52.0	%	PMID[519046]
NPT3206	Individual Protein	Serine/threonine-protein kinase Aurora-C	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT3273	Individual Protein	Casein kinase II alpha (prime)	Homo sapiens	Residual Activity	=	104.0	%	PMID[519046]
NPT3336	Individual Protein	Serine/threonine-protein kinase DCLK2	Homo sapiens	Residual Activity	=	105.0	%	PMID[519046]
NPT3216	Individual Protein	Ephrin type-A receptor 8	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT2574	Individual Protein	Insulin receptor	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT3242	Individual Protein	LIM domain kinase 1	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT3381	Individual Protein	Misshapen-like kinase 1	Homo sapiens	Residual Activity	=	99.0	%	PMID[519046]
NPT3332	Individual Protein	Serine/threonine-protein kinase 24	Homo sapiens	Residual Activity	=	71.0	%	PMID[519046]
NPT3247	Individual Protein	Serine/threonine-protein kinase PAK 3	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT3206	Individual Protein	Serine/threonine-protein kinase Aurora-C	Homo sapiens	Residual Activity	=	72.0	%	PMID[519046]
NPT3273	Individual Protein	Casein kinase II alpha (prime)	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT1682	Individual Protein	Dual specificity protein kinase CLK2	Homo sapiens	Residual Activity	=	114.0	%	PMID[519046]
NPT3336	Individual Protein	Serine/threonine-protein kinase DCLK2	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT3303	Individual Protein	Discoidin domain-containing receptor 2	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT3216	Individual Protein	Ephrin type-A receptor 8	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT3212	Individual Protein	Ephrin type-B receptor 1	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT4088	Individual Protein	G protein-coupled receptor kinase 6	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT4088	Individual Protein	G protein-coupled receptor kinase 6	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT2574	Individual Protein	Insulin receptor	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT2574	Individual Protein	Insulin receptor	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT3279	Individual Protein	Serine/threonine-protein kinase 11	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT3279	Individual Protein	Serine/threonine-protein kinase 11	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT3381	Individual Protein	Misshapen-like kinase 1	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1691	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 6	Homo sapiens	Residual Activity	=	109.0	%	PMID[519046]
NPT3332	Individual Protein	Serine/threonine-protein kinase 24	Homo sapiens	Residual Activity	=	70.0	%	PMID[519046]
NPT3320	Individual Protein	Proto-oncogene tyrosine-protein kinase MER	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3245	Individual Protein	Tyrosine kinase non-receptor protein 2	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT1659	Individual Protein	Tyrosine-protein kinase receptor UFO	Homo sapiens	Residual Activity	=	73.0	%	PMID[519046]
NPT1659	Individual Protein	Tyrosine-protein kinase receptor UFO	Homo sapiens	Residual Activity	=	62.0	%	PMID[519046]
NPT1682	Individual Protein	Dual specificity protein kinase CLK2	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT3303	Individual Protein	Discoidin domain-containing receptor 2	Homo sapiens	Residual Activity	=	84.0	%	PMID[519046]
NPT3438	Individual Protein	G protein-coupled receptor kinase 7	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT3386	Individual Protein	Interleukin-1 receptor-associated kinase 1	Homo sapiens	Residual Activity	=	106.0	%	PMID[519046]
NPT1707	Individual Protein	Serine/threonine-protein kinase 10	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT1691	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 6	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT3320	Individual Protein	Proto-oncogene tyrosine-protein kinase MER	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT3245	Individual Protein	Tyrosine kinase non-receptor protein 2	Homo sapiens	Residual Activity	=	55.0	%	PMID[519046]
NPT1661	Individual Protein	ALK tyrosine kinase receptor	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT3215	Individual Protein	Tyrosine-protein kinase BRK	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT1683	Individual Protein	Dual specificity protein kinase CLK3	Homo sapiens	Residual Activity	=	79.0	%	PMID[519046]
NPT1683	Individual Protein	Dual specificity protein kinase CLK3	Homo sapiens	Residual Activity	=	72.0	%	PMID[519046]
NPT1688	Individual Protein	Myotonin-protein kinase	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT1688	Individual Protein	Myotonin-protein kinase	Homo sapiens	Residual Activity	=	80.0	%	PMID[519046]
NPT2941	Individual Protein	Ephrin type-B receptor 2	Homo sapiens	Residual Activity	=	114.0	%	PMID[519046]
NPT3438	Individual Protein	G protein-coupled receptor kinase 7	Homo sapiens	Residual Activity	=	84.0	%	PMID[519046]
NPT3386	Individual Protein	Interleukin-1 receptor-associated kinase 1	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT3425	Individual Protein	Interleukin-1 receptor-associated kinase 4	Homo sapiens	Residual Activity	=	79.0	%	PMID[519046]
NPT1707	Individual Protein	Serine/threonine-protein kinase 10	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT13	Individual Protein	Tyrosine-protein kinase LCK	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT3441	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT3441	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT1337	Individual Protein	Hepatocyte growth factor receptor	Homo sapiens	Residual Activity	=	112.0	%	PMID[519046]
NPT1337	Individual Protein	Hepatocyte growth factor receptor	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT1661	Individual Protein	ALK tyrosine kinase receptor	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT3215	Individual Protein	Tyrosine-protein kinase BRK	Homo sapiens	Residual Activity	=	80.0	%	PMID[519046]
NPT3113	Individual Protein	Tyrosine-protein kinase CSK	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT1709	Individual Protein	Serine/threonine-protein kinase 17A	Homo sapiens	Residual Activity	=	104.0	%	PMID[519046]
NPT2941	Individual Protein	Ephrin type-B receptor 2	Homo sapiens	Residual Activity	=	116.0	%	PMID[519046]
NPT3359	Individual Protein	Ephrin type-B receptor 3	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT3244	Individual Protein	Tyrosine-protein kinase FER	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT3425	Individual Protein	Interleukin-1 receptor-associated kinase 4	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT13	Individual Protein	Tyrosine-protein kinase LCK	Homo sapiens	Residual Activity	=	69.0	%	PMID[519046]
NPT2626	Individual Protein	Myosin light chain kinase, smooth muscle	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3213	Individual Protein	MAP kinase signal-integrating kinase 2	Homo sapiens	Residual Activity	=	55.0	%	PMID[519046]
NPT3293	Individual Protein	Activin receptor type-1B	Homo sapiens	Residual Activity	=	110.0	%	PMID[519046]
NPT3293	Individual Protein	Activin receptor type-1B	Homo sapiens	Residual Activity	=	114.0	%	PMID[519046]
NPT3113	Individual Protein	Tyrosine-protein kinase CSK	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT3232	Individual Protein	CaM kinase I alpha	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT1709	Individual Protein	Serine/threonine-protein kinase 17A	Homo sapiens	Residual Activity	=	114.0	%	PMID[519046]
NPT3399	Individual Protein	Dual-specificity tyrosine-phosphorylation regulated kinase 2	Homo sapiens	Residual Activity	=	99.0	%	PMID[519046]
NPT3359	Individual Protein	Ephrin type-B receptor 3	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT1437	Individual Protein	Tyrosine-protein kinase FES	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT1437	Individual Protein	Tyrosine-protein kinase FES	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT591	Individual Protein	Glycogen synthase kinase-3 beta	Homo sapiens	Residual Activity	=	120.0	%	PMID[519046]
NPT591	Individual Protein	Glycogen synthase kinase-3 beta	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT3286	Individual Protein	Insulin receptor-related protein	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT3286	Individual Protein	Insulin receptor-related protein	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT13	Individual Protein	Tyrosine-protein kinase LCK	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT13	Individual Protein	Tyrosine-protein kinase LCK	Homo sapiens	Residual Activity	=	74.0	%	PMID[519046]
NPT2626	Individual Protein	Myosin light chain kinase, smooth muscle	Homo sapiens	Residual Activity	=	79.0	%	PMID[519046]
NPT3326	Individual Protein	Mitogen-activated protein kinase kinase kinase 9	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT3213	Individual Protein	MAP kinase signal-integrating kinase 2	Homo sapiens	Residual Activity	=	42.0	%	PMID[519046]
NPT3333	Individual Protein	Muscle, skeletal receptor tyrosine protein kinase	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT3312	Individual Protein	Tyrosine-protein kinase BLK	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3312	Individual Protein	Tyrosine-protein kinase BLK	Homo sapiens	Residual Activity	=	76.0	%	PMID[519046]
NPT3232	Individual Protein	CaM kinase I alpha	Homo sapiens	Residual Activity	=	68.0	%	PMID[519046]
NPT3399	Individual Protein	Dual-specificity tyrosine-phosphorylation regulated kinase 2	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT2572	Individual Protein	Ephrin type-B receptor 4	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT2572	Individual Protein	Ephrin type-B receptor 4	Homo sapiens	Residual Activity	=	84.0	%	PMID[519046]
NPT3112	Individual Protein	Tyrosine-protein kinase FGR	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT3444	Individual Protein	Homeodomain-interacting protein kinase 1	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT1439	Individual Protein	Tyrosine-protein kinase ITK/TSK	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT3111	Individual Protein	Tyrosine-protein kinase Lyn	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT3326	Individual Protein	Mitogen-activated protein kinase kinase kinase 9	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT3333	Individual Protein	Muscle, skeletal receptor tyrosine protein kinase	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT2750	Individual Protein	Tyrosine-protein kinase BMX	Homo sapiens	Residual Activity	=	76.0	%	PMID[519046]
NPT1608	Individual Protein	Serine/threonine-protein kinase Chk1	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT1630	Individual Protein	CaM kinase II beta	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT1630	Individual Protein	CaM kinase II beta	Homo sapiens	Residual Activity	=	76.0	%	PMID[519046]
NPT285	Individual Protein	Epidermal growth factor receptor erbB1	Homo sapiens	Residual Activity	=	9.0	%	PMID[519046]
NPT285	Individual Protein	Epidermal growth factor receptor erbB1	Homo sapiens	Residual Activity	=	0.0	%	PMID[519046]
NPT1435	Individual Protein	Receptor protein-tyrosine kinase erbB-4	Homo sapiens	Residual Activity	=	69.0	%	PMID[519046]
NPT3112	Individual Protein	Tyrosine-protein kinase FGR	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT301	Individual Protein	Vascular endothelial growth factor receptor 1	Homo sapiens	Residual Activity	=	79.0	%	PMID[519046]
NPT3444	Individual Protein	Homeodomain-interacting protein kinase 1	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT3432	Individual Protein	Homeodomain-interacting protein kinase 2	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT1439	Individual Protein	Tyrosine-protein kinase ITK/TSK	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT3246	Individual Protein	Tyrosine-protein kinase JAK2	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3111	Individual Protein	Tyrosine-protein kinase Lyn	Homo sapiens	Residual Activity	=	65.0	%	PMID[519046]
NPT281	Individual Protein	MAP kinase ERK1	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT3329	Individual Protein	Serine/threonine-protein kinase MRCK-A	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT3329	Individual Protein	Serine/threonine-protein kinase MRCK-A	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT3443	Individual Protein	Serine/threonine-protein kinase Nek11	Homo sapiens	Residual Activity	=	48.0	%	PMID[519046]
NPT3443	Individual Protein	Serine/threonine-protein kinase Nek11	Homo sapiens	Residual Activity	=	44.0	%	PMID[519046]
NPT1660	Individual Protein	NUAK family SNF1-like kinase 1	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT2750	Individual Protein	Tyrosine-protein kinase BMX	Homo sapiens	Residual Activity	=	71.0	%	PMID[519046]
NPT3315	Individual Protein	BR serine/threonine-protein kinase 1	Homo sapiens	Residual Activity	=	75.0	%	PMID[519046]
NPT1608	Individual Protein	Serine/threonine-protein kinase Chk1	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1680	Individual Protein	Serine/threonine-protein kinase Chk2	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT1676	Individual Protein	CaM kinase II gamma	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT3354	Individual Protein	Ephrin type-A receptor 1	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT1435	Individual Protein	Receptor protein-tyrosine kinase erbB-4	Homo sapiens	Residual Activity	=	67.0	%	PMID[519046]
NPT1436	Individual Protein	Focal adhesion kinase 1	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT301	Individual Protein	Vascular endothelial growth factor receptor 1	Homo sapiens	Residual Activity	=	67.0	%	PMID[519046]
NPT3432	Individual Protein	Homeodomain-interacting protein kinase 2	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT3246	Individual Protein	Tyrosine-protein kinase JAK2	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT281	Individual Protein	MAP kinase ERK1	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT3330	Individual Protein	Serine/threonine-protein kinase MRCK beta	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT1658	Individual Protein	Serine/threonine-protein kinase NEK2	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT1660	Individual Protein	NUAK family SNF1-like kinase 1	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT3315	Individual Protein	BR serine/threonine-protein kinase 1	Homo sapiens	Residual Activity	=	74.0	%	PMID[519046]
NPT1680	Individual Protein	Serine/threonine-protein kinase Chk2	Homo sapiens	Residual Activity	=	75.0	%	PMID[519046]
NPT1684	Individual Protein	Casein kinase I gamma 1	Homo sapiens	Residual Activity	=	98.0	%	PMID[519046]
NPT1676	Individual Protein	CaM kinase II gamma	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT1675	Individual Protein	CaM kinase II delta	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3354	Individual Protein	Ephrin type-A receptor 1	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT3225	Individual Protein	Ephrin type-A receptor 2	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT1436	Individual Protein	Focal adhesion kinase 1	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT1650	Individual Protein	Tyrosine-protein kinase receptor FLT3	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1650	Individual Protein	Tyrosine-protein kinase receptor FLT3	Homo sapiens	Residual Activity	=	52.0	%	PMID[519046]
NPT3409	Individual Protein	Homeodomain-interacting protein kinase 3	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT3409	Individual Protein	Homeodomain-interacting protein kinase 3	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1440	Individual Protein	Tyrosine-protein kinase JAK3	Homo sapiens	Residual Activity	=	109.0	%	PMID[519046]
NPT1440	Individual Protein	Tyrosine-protein kinase JAK3	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Residual Activity	=	108.0	%	PMID[519046]
NPT3330	Individual Protein	Serine/threonine-protein kinase MRCK beta	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT1613	Individual Protein	Ribosomal protein S6 kinase alpha 5	Homo sapiens	Residual Activity	=	104.0	%	PMID[519046]
NPT1658	Individual Protein	Serine/threonine-protein kinase NEK2	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT3391	Individual Protein	Serine/threonine-protein kinase Nek3	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT1431	Individual Protein	Mitogen-activated protein kinase kinase kinase 5	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT1431	Individual Protein	Mitogen-activated protein kinase kinase kinase 5	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT3344	Individual Protein	BR serine/threonine-protein kinase 2	Homo sapiens	Residual Activity	=	112.0	%	PMID[519046]
NPT3344	Individual Protein	BR serine/threonine-protein kinase 2	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT1684	Individual Protein	Casein kinase I gamma 1	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT1675	Individual Protein	CaM kinase II delta	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT3225	Individual Protein	Ephrin type-A receptor 2	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT1480	Individual Protein	Fibroblast growth factor receptor 1	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT1480	Individual Protein	Fibroblast growth factor receptor 1	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT2573	Individual Protein	Vascular endothelial growth factor receptor 3	Homo sapiens	Residual Activity	=	76.0	%	PMID[519046]
NPT4093	Individual Protein	Serine/threonine-protein kinase haspin	Homo sapiens	Residual Activity	=	73.0	%	PMID[519046]
NPT1426	Individual Protein	c-Jun N-terminal kinase 1	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT1441	Individual Protein	MAP kinase-activated protein kinase 2	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT1613	Individual Protein	Ribosomal protein S6 kinase alpha 5	Homo sapiens	Residual Activity	=	110.0	%	PMID[519046]
NPT3391	Individual Protein	Serine/threonine-protein kinase Nek3	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT2729	Individual Protein	Tyrosine-protein kinase ABL	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT1685	Individual Protein	Casein kinase I gamma 2	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1685	Individual Protein	Casein kinase I gamma 2	Homo sapiens	Residual Activity	=	76.0	%	PMID[519046]
NPT1677	Individual Protein	CaM kinase IV	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT1677	Individual Protein	CaM kinase IV	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT3217	Individual Protein	Ephrin type-A receptor 3	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT3217	Individual Protein	Ephrin type-A receptor 3	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT1481	Individual Protein	Fibroblast growth factor receptor 2	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT2573	Individual Protein	Vascular endothelial growth factor receptor 3	Homo sapiens	Residual Activity	=	25.0	%	PMID[519046]
NPT3267	Individual Protein	Macrophage colony stimulating factor receptor	Homo sapiens	Residual Activity	=	68.0	%	PMID[519046]
NPT4093	Individual Protein	Serine/threonine-protein kinase haspin	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT3205	Individual Protein	Tyrosine-protein kinase HCK	Homo sapiens	Residual Activity	=	80.0	%	PMID[519046]
NPT1426	Individual Protein	c-Jun N-terminal kinase 1	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1427	Individual Protein	c-Jun N-terminal kinase 2	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT1441	Individual Protein	MAP kinase-activated protein kinase 2	Homo sapiens	Residual Activity	=	98.0	%	PMID[519046]
NPT3461	Individual Protein	MAP kinase-activated protein kinase 3	Homo sapiens	Residual Activity	=	115.0	%	PMID[519046]
NPT3374	Individual Protein	Ribosomal protein S6 kinase alpha 4	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT3374	Individual Protein	Ribosomal protein S6 kinase alpha 4	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT1657	Individual Protein	Serine/threonine-protein kinase NEK6	Homo sapiens	Residual Activity	=	109.0	%	PMID[519046]
NPT1657	Individual Protein	Serine/threonine-protein kinase NEK6	Homo sapiens	Residual Activity	=	104.0	%	PMID[519046]
NPT3214	Individual Protein	Tyrosine-protein kinase ABL2	Homo sapiens	Residual Activity	=	111.0	%	PMID[519046]
NPT1686	Individual Protein	Casein kinase I isoform gamma-3	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT1672	Individual Protein	CaM kinase I delta	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT3218	Individual Protein	Ephrin type-A receptor 4	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT1481	Individual Protein	Fibroblast growth factor receptor 2	Homo sapiens	Residual Activity	=	84.0	%	PMID[519046]
NPT3227	Individual Protein	Fibroblast growth factor receptor 3	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT3267	Individual Protein	Macrophage colony stimulating factor receptor	Homo sapiens	Residual Activity	=	58.0	%	PMID[519046]
NPT3205	Individual Protein	Tyrosine-protein kinase HCK	Homo sapiens	Residual Activity	=	57.0	%	PMID[519046]
NPT1438	Individual Protein	Insulin-like growth factor I receptor	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT1427	Individual Protein	c-Jun N-terminal kinase 2	Homo sapiens	Residual Activity	=	106.0	%	PMID[519046]
NPT3461	Individual Protein	MAP kinase-activated protein kinase 3	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT1699	Individual Protein	3-phosphoinositide dependent protein kinase-1	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT1703	Individual Protein	cAMP-dependent protein kinase alpha-catalytic subunit	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT3124	Individual Protein	Protein kinase C eta	Homo sapiens	Residual Activity	=	80.0	%	PMID[519046]
NPT1700	Individual Protein	Serine/threonine-protein kinase PIM2	Homo sapiens	Residual Activity	=	130.0	%	PMID[519046]
NPT3277	Individual Protein	Tyrosine-protein kinase receptor TYRO3	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT3349	Individual Protein	Serine/threonine-protein kinase SIK1	Homo sapiens	Residual Activity	=	116.0	%	PMID[519046]
NPT3349	Individual Protein	Serine/threonine-protein kinase SIK1	Homo sapiens	Residual Activity	=	104.0	%	PMID[519046]
NPT3269	Individual Protein	Serine/threonine-protein kinase tousled-like 2	Homo sapiens	Residual Activity	=	80.0	%	PMID[519046]
NPT3269	Individual Protein	Serine/threonine-protein kinase tousled-like 2	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT4094	Individual Protein	Serine/threonine-protein kinase WNK3	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT1703	Individual Protein	cAMP-dependent protein kinase alpha-catalytic subunit	Homo sapiens	Residual Activity	=	98.0	%	PMID[519046]
NPT1701	Individual Protein	Serine/threonine-protein kinase PIM3	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT1701	Individual Protein	Serine/threonine-protein kinase PIM3	Homo sapiens	Residual Activity	=	74.0	%	PMID[519046]
NPT3106	Individual Protein	Ribosomal protein S6 kinase alpha 1	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT3106	Individual Protein	Ribosomal protein S6 kinase alpha 1	Homo sapiens	Residual Activity	=	116.0	%	PMID[519046]
NPT3291	Individual Protein	Serine/threonine-protein kinase SRPK1	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT3299	Individual Protein	Testis-specific serine/threonine-protein kinase 1	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT4094	Individual Protein	Serine/threonine-protein kinase WNK3	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT1663	Individual Protein	Tyrosine-protein kinase YES	Homo sapiens	Residual Activity	=	113.0	%	PMID[519046]
NPT3394	Individual Protein	Protein kinase C iota	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT1705	Individual Protein	Ribosomal protein S6 kinase alpha 3	Homo sapiens	Residual Activity	=	55.0	%	PMID[519046]
NPT3291	Individual Protein	Serine/threonine-protein kinase SRPK1	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT3292	Individual Protein	Serine/threonine-protein kinase SRPK2	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT3299	Individual Protein	Testis-specific serine/threonine-protein kinase 1	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT3462	Individual Protein	Testis-specific serine/threonine-protein kinase 2	Homo sapiens	Residual Activity	=	98.0	%	PMID[519046]
NPT1663	Individual Protein	Tyrosine-protein kinase YES	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT1430	Individual Protein	Serine/threonine-protein kinase AKT2	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT3394	Individual Protein	Protein kinase C iota	Homo sapiens	Residual Activity	=	105.0	%	PMID[519046]
NPT3364	Individual Protein	Protein kinase C mu	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT3358	Individual Protein	Serine/threonine-protein kinase PLK3	Homo sapiens	Residual Activity	=	98.0	%	PMID[519046]
NPT1705	Individual Protein	Ribosomal protein S6 kinase alpha 3	Homo sapiens	Residual Activity	=	50.0	%	PMID[519046]
NPT3234	Individual Protein	Ribosomal protein S6 kinase alpha 2	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT3292	Individual Protein	Serine/threonine-protein kinase SRPK2	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT3462	Individual Protein	Testis-specific serine/threonine-protein kinase 2	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT3259	Individual Protein	Tyrosine-protein kinase ZAP-70	Homo sapiens	Residual Activity	=	128.0	%	PMID[519046]
NPT3259	Individual Protein	Tyrosine-protein kinase ZAP-70	Homo sapiens	Residual Activity	=	132.0	%	PMID[519046]
NPT1430	Individual Protein	Serine/threonine-protein kinase AKT2	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT2546	Individual Protein	Serine/threonine-protein kinase AKT3	Homo sapiens	Residual Activity	=	112.0	%	PMID[519046]
NPT3364	Individual Protein	Protein kinase C mu	Homo sapiens	Residual Activity	=	71.0	%	PMID[519046]
NPT3358	Individual Protein	Serine/threonine-protein kinase PLK3	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT3234	Individual Protein	Ribosomal protein S6 kinase alpha 2	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT3296	Individual Protein	Serine/threonine-protein kinase 33	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT3351	Individual Protein	Tyrosine-protein kinase TEC	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT3351	Individual Protein	Tyrosine-protein kinase TEC	Homo sapiens	Residual Activity	=	74.0	%	PMID[519046]
NPT1687	Individual Protein	Death-associated protein kinase 3	Homo sapiens	Residual Activity	=	73.0	%	PMID[519046]
NPT3247	Individual Protein	Serine/threonine-protein kinase PAK 3	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT2546	Individual Protein	Serine/threonine-protein kinase AKT3	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT3365	Individual Protein	Serine/threonine-protein kinase D2	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT3365	Individual Protein	Serine/threonine-protein kinase D2	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT3262	Individual Protein	Serine/threonine-protein kinase PRKX	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT3262	Individual Protein	Serine/threonine-protein kinase PRKX	Homo sapiens	Residual Activity	=	53.0	%	PMID[519046]
NPT3254	Individual Protein	Ribosomal protein S6 kinase alpha 6	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3414	Individual Protein	Serine/threonine-protein kinase PLK2	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT2576	Individual Protein	Tyrosine-protein kinase TIE-2	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT1687	Individual Protein	Death-associated protein kinase 3	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT1424	Individual Protein	Serine/threonine-protein kinase RAF	Homo sapiens	Residual Activity	=	71.0	%	PMID[519046]
NPT1695	Individual Protein	Serine/threonine-protein kinase PAK 4	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT1695	Individual Protein	Serine/threonine-protein kinase PAK 4	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT182	Individual Protein	Protein kinase C alpha	Homo sapiens	Residual Activity	=	106.0	%	PMID[519046]
NPT182	Individual Protein	Protein kinase C alpha	Homo sapiens	Residual Activity	=	98.0	%	PMID[519046]
NPT3367	Individual Protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT3263	Individual Protein	Protein tyrosine kinase 2 beta	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT3254	Individual Protein	Ribosomal protein S6 kinase alpha 6	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT283	Individual Protein	MAP kinase p38 alpha	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT3414	Individual Protein	Serine/threonine-protein kinase PLK2	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT1449	Individual Protein	Tyrosine-protein kinase SYK	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT2576	Individual Protein	Tyrosine-protein kinase TIE-2	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT3239	Individual Protein	Nerve growth factor receptor Trk-A	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT1424	Individual Protein	Serine/threonine-protein kinase RAF	Homo sapiens	Residual Activity	=	73.0	%	PMID[519046]
NPT1696	Individual Protein	Serine/threonine-protein kinase PAK7	Homo sapiens	Residual Activity	=	82.0	%	PMID[519046]
NPT3367	Individual Protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Residual Activity	=	116.0	%	PMID[519046]
NPT3367	Individual Protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT3263	Individual Protein	Protein tyrosine kinase 2 beta	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT1447	Individual Protein	Serine/threonine-protein kinase RIPK2	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT283	Individual Protein	MAP kinase p38 alpha	Homo sapiens	Residual Activity	=	85.0	%	PMID[519046]
NPT1449	Individual Protein	Tyrosine-protein kinase SYK	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT3239	Individual Protein	Nerve growth factor receptor Trk-A	Homo sapiens	Residual Activity	=	47.0	%	PMID[519046]
NPT1479	Individual Protein	Stem cell growth factor receptor	Homo sapiens	Residual Activity	=	106.0	%	PMID[519046]
NPT1479	Individual Protein	Stem cell growth factor receptor	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT1696	Individual Protein	Serine/threonine-protein kinase PAK7	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT1697	Individual Protein	Serine/threonine-protein kinase PAK6	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT3367	Individual Protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Residual Activity	=	75.0	%	PMID[519046]
NPT1447	Individual Protein	Serine/threonine-protein kinase RIPK2	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT1616	Individual Protein	MAP kinase p38 beta	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT1616	Individual Protein	MAP kinase p38 beta	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT3442	Individual Protein	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT3442	Individual Protein	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens	Residual Activity	=	82.0	%	PMID[519046]
NPT3270	Individual Protein	Neurotrophic tyrosine kinase receptor type 2	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT36	Individual Protein	Tyrosine-protein kinase SRC	Homo sapiens	Residual Activity	=	111.0	%	PMID[519046]
NPT1697	Individual Protein	Serine/threonine-protein kinase PAK6	Homo sapiens	Residual Activity	=	84.0	%	PMID[519046]
NPT1612	Individual Protein	MAP kinase-activated protein kinase 5	Homo sapiens	Residual Activity	=	119.0	%	PMID[519046]
NPT1612	Individual Protein	MAP kinase-activated protein kinase 5	Homo sapiens	Residual Activity	=	124.0	%	PMID[519046]
NPT592	Individual Protein	Rho-associated protein kinase 1	Homo sapiens	Residual Activity	=	126.0	%	PMID[519046]
NPT592	Individual Protein	Rho-associated protein kinase 1	Homo sapiens	Residual Activity	=	115.0	%	PMID[519046]
NPT1615	Individual Protein	MAP kinase p38 gamma	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT3431	Individual Protein	Serine/threonine-protein kinase TAO1	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT3272	Individual Protein	Tyrosine-protein kinase TXK	Homo sapiens	Residual Activity	=	75.0	%	PMID[519046]
NPT36	Individual Protein	Tyrosine-protein kinase SRC	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT1344	Individual Protein	Serine/threonine-protein kinase EEF2K	Homo sapiens	Residual Activity	=	99.0	%	PMID[519046]
NPT3235	Individual Protein	MAP/microtubule affinity-regulating kinase 2	Homo sapiens	Residual Activity	=	105.0	%	PMID[519046]
NPT3235	Individual Protein	MAP/microtubule affinity-regulating kinase 2	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT3357	Individual Protein	Protein kinase N2	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT3107	Individual Protein	Rho-associated protein kinase 2	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT1615	Individual Protein	MAP kinase p38 gamma	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT1614	Individual Protein	MAP kinase p38 delta	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT3431	Individual Protein	Serine/threonine-protein kinase TAO1	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT3426	Individual Protein	Serine/threonine-protein kinase TAO2	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT1344	Individual Protein	Serine/threonine-protein kinase EEF2K	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3454	Individual Protein	PAS domain-containing serine/threonine-protein kinase	Homo sapiens	Residual Activity	=	147.0	%	PMID[519046]
NPT3357	Individual Protein	Protein kinase N2	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT3204	Individual Protein	Tyrosine-protein kinase FRK	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3107	Individual Protein	Rho-associated protein kinase 2	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT3370	Individual Protein	Tyrosine-protein kinase receptor RET	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT1614	Individual Protein	MAP kinase p38 delta	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT3426	Individual Protein	Serine/threonine-protein kinase TAO2	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT3422	Individual Protein	Serine/threonine-protein kinase ULK2	Homo sapiens	Residual Activity	=	98.0	%	PMID[519046]
NPT3422	Individual Protein	Serine/threonine-protein kinase ULK2	Homo sapiens	Residual Activity	=	96.0	%	PMID[519046]
NPT3454	Individual Protein	PAS domain-containing serine/threonine-protein kinase	Homo sapiens	Residual Activity	=	119.0	%	PMID[519046]
NPT3020	Individual Protein	Platelet-derived growth factor receptor alpha	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT3204	Individual Protein	Tyrosine-protein kinase FRK	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT3370	Individual Protein	Tyrosine-protein kinase receptor RET	Homo sapiens	Residual Activity	=	75.0	%	PMID[519046]
NPT1448	Individual Protein	Serine/threonine-protein kinase Sgk1	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT1448	Individual Protein	Serine/threonine-protein kinase Sgk1	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT3427	Individual Protein	Serine/threonine-protein kinase TAO3	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT3427	Individual Protein	Serine/threonine-protein kinase TAO3	Homo sapiens	Residual Activity	=	90.0	%	PMID[519046]
NPT3382	Individual Protein	Serine/threonine-protein kinase ULK3	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT3020	Individual Protein	Platelet-derived growth factor receptor alpha	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT3223	Individual Protein	Phosphorylase kinase gamma subunit 2	Homo sapiens	Residual Activity	=	108.0	%	PMID[519046]
NPT3223	Individual Protein	Phosphorylase kinase gamma subunit 2	Homo sapiens	Residual Activity	=	99.0	%	PMID[519046]
NPT3390	Individual Protein	Macrophage-stimulating protein receptor	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT3390	Individual Protein	Macrophage-stimulating protein receptor	Homo sapiens	Residual Activity	=	70.0	%	PMID[519046]
NPT3456	Individual Protein	Serine/threonine-protein kinase Sgk2	Homo sapiens	Residual Activity	=	73.0	%	PMID[519046]
NPT3417	Individual Protein	Serine/threonine-protein kinase TBK1	Homo sapiens	Residual Activity	=	58.0	%	PMID[519046]
NPT3382	Individual Protein	Serine/threonine-protein kinase ULK3	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT1715	Individual Protein	Serine/threonine-protein kinase VRK2	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT1611	Individual Protein	Ribosomal protein S6 kinase 1	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT2575	Individual Protein	Platelet-derived growth factor receptor beta	Homo sapiens	Residual Activity	=	110.0	%	PMID[519046]
NPT2575	Individual Protein	Platelet-derived growth factor receptor beta	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT3455	Individual Protein	Protein kinase C zeta	Homo sapiens	Residual Activity	=	98.0	%	PMID[519046]
NPT3455	Individual Protein	Protein kinase C zeta	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT1265	Individual Protein	Serine/threonine-protein kinase PIM1	Homo sapiens	Residual Activity	=	110.0	%	PMID[519046]
NPT3373	Individual Protein	Proto-oncogene tyrosine-protein kinase ROS	Homo sapiens	Residual Activity	=	89.0	%	PMID[519046]
NPT3456	Individual Protein	Serine/threonine-protein kinase Sgk2	Homo sapiens	Residual Activity	=	76.0	%	PMID[519046]
NPT3418	Individual Protein	Serine/threonine-protein kinase Sgk3	Homo sapiens	Residual Activity	=	99.0	%	PMID[519046]
NPT3417	Individual Protein	Serine/threonine-protein kinase TBK1	Homo sapiens	Residual Activity	=	53.0	%	PMID[519046]
NPT3353	Individual Protein	TGF-beta receptor type I	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT1715	Individual Protein	Serine/threonine-protein kinase VRK2	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT1611	Individual Protein	Ribosomal protein S6 kinase 1	Homo sapiens	Residual Activity	=	54.0	%	PMID[519046]
NPT1699	Individual Protein	3-phosphoinositide dependent protein kinase-1	Homo sapiens	Residual Activity	=	100.0	%	PMID[519046]
NPT3124	Individual Protein	Protein kinase C eta	Homo sapiens	Residual Activity	=	72.0	%	PMID[519046]
NPT1265	Individual Protein	Serine/threonine-protein kinase PIM1	Homo sapiens	Residual Activity	=	91.0	%	PMID[519046]
NPT1700	Individual Protein	Serine/threonine-protein kinase PIM2	Homo sapiens	Residual Activity	=	144.0	%	PMID[519046]
NPT3373	Individual Protein	Proto-oncogene tyrosine-protein kinase ROS	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT3277	Individual Protein	Tyrosine-protein kinase receptor TYRO3	Homo sapiens	Residual Activity	=	104.0	%	PMID[519046]
NPT3418	Individual Protein	Serine/threonine-protein kinase Sgk3	Homo sapiens	Residual Activity	=	80.0	%	PMID[519046]
NPT3353	Individual Protein	TGF-beta receptor type I	Homo sapiens	Residual Activity	=	78.0	%	PMID[519046]
NPT4096	Individual Protein	Serine/threonine-protein kinase WNK2	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT4096	Individual Protein	Serine/threonine-protein kinase WNK2	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	IC50	=	1490.0	nM	PMID[519048]
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	Ki	=	2280.0	nM	PMID[519048]
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	86.0	%	PMID[519048]
NPT858	Cell Line	LNCaP	Homo sapiens	IC50	=	540.0	nM	PMID[519049]
NPT1523	Cell Line	NFF	Homo sapiens	IC50	=	339.0	nM	PMID[519049]
NPT858	Cell Line	LNCaP	Homo sapiens	Ratio IC50	=	0.63	n.a.	PMID[519049]
NPT83	Cell Line	MCF7	Homo sapiens	EC50	=	0.14	ug.mL-1	PMID[519049]
NPT375	Cell Line	Malme-3M	Homo sapiens	EC50	=	0.03	ug.mL-1	PMID[519049]
NPT3814	Protein Complex	Cyclin-dependent kinase 2/cyclin A	Homo sapiens	Residual Activity	=	77.0	%	PMID[519046]
NPT982	Individual Protein	Inhibitor of nuclear factor kappa B kinase alpha subunit	Homo sapiens	Residual Activity	=	108.0	%	PMID[519046]
NPT2544	Protein Complex	Cyclin-dependent kinase 2/cyclin E	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT2544	Protein Complex	Cyclin-dependent kinase 2/cyclin E	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT981	Individual Protein	Inhibitor of nuclear factor kappa B kinase beta subunit	Homo sapiens	Residual Activity	=	113.0	%	PMID[519046]
NPT4087	Protein Complex	CDK3/cyclin E	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1609	Protein Complex	Casein kinase II	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT1609	Protein Complex	Casein kinase II	Homo sapiens	Residual Activity	=	71.0	%	PMID[519046]
NPT981	Individual Protein	Inhibitor of nuclear factor kappa B kinase beta subunit	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT4087	Protein Complex	CDK3/cyclin E	Homo sapiens	Residual Activity	=	81.0	%	PMID[519046]
NPT1509	Protein Complex	Cyclin-dependent kinase 5/CDK5 activator 1	Homo sapiens	Residual Activity	=	72.0	%	PMID[519046]
NPT1509	Protein Complex	Cyclin-dependent kinase 5/CDK5 activator 1	Homo sapiens	Residual Activity	=	82.0	%	PMID[519046]
NPT1509	Protein Complex	Cyclin-dependent kinase 5/CDK5 activator 1	Homo sapiens	Residual Activity	=	108.0	%	PMID[519046]
NPT4089	Protein Complex	CDK6/cyclin D3	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT676	Individual Protein	Glycogen synthase kinase-3 alpha	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT833	Individual Protein	Tyrosine-protein kinase BTK	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT4089	Protein Complex	CDK6/cyclin D3	Homo sapiens	Residual Activity	=	82.0	%	PMID[519046]
NPT4090	Protein Complex	Cyclin-dependent kinase 7/ cyclin H	Homo sapiens	Residual Activity	=	99.0	%	PMID[519046]
NPT676	Individual Protein	Glycogen synthase kinase-3 alpha	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT833	Individual Protein	Tyrosine-protein kinase BTK	Homo sapiens	Residual Activity	=	87.0	%	PMID[519046]
NPT4090	Protein Complex	Cyclin-dependent kinase 7/ cyclin H	Homo sapiens	Residual Activity	=	83.0	%	PMID[519046]
NPT4091	Protein Complex	AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1	Homo sapiens	Residual Activity	=	95.0	%	PMID[519046]
NPT4091	Protein Complex	AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT4092	Protein Complex	CDK9/cyclin T1	Homo sapiens	Residual Activity	=	86.0	%	PMID[519046]
NPT4092	Protein Complex	CDK9/cyclin T1	Homo sapiens	Residual Activity	=	92.0	%	PMID[519046]
NPT1767	Protein Complex	AMP-activated protein kinase, AMPK	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT1767	Protein Complex	AMP-activated protein kinase, AMPK	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT1561	Protein Complex	Cyclin-dependent kinase 1/cyclin B1	Homo sapiens	Residual Activity	=	112.0	%	PMID[519046]
NPT1561	Protein Complex	Cyclin-dependent kinase 1/cyclin B1	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT3814	Protein Complex	Cyclin-dependent kinase 2/cyclin A	Homo sapiens	Residual Activity	=	84.0	%	PMID[519046]
NPT887	Individual Protein	Protein kinase C theta	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT887	Individual Protein	Protein kinase C theta	Homo sapiens	Residual Activity	=	99.0	%	PMID[519046]
NPT728	Individual Protein	Serine/threonine-protein kinase AKT	Homo sapiens	Residual Activity	=	108.0	%	PMID[519046]
NPT728	Individual Protein	Serine/threonine-protein kinase AKT	Homo sapiens	Residual Activity	=	107.0	%	PMID[519046]
NPT831	Individual Protein	Serine/threonine-protein kinase PLK1	Homo sapiens	Residual Activity	=	75.0	%	PMID[519046]
NPT831	Individual Protein	Serine/threonine-protein kinase PLK1	Homo sapiens	Residual Activity	=	74.0	%	PMID[519046]
NPT760	Individual Protein	Protein kinase C beta	Homo sapiens	Residual Activity	=	102.0	%	PMID[519046]
NPT760	Individual Protein	Protein kinase C beta	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT760	Individual Protein	Protein kinase C beta	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT760	Individual Protein	Protein kinase C beta	Homo sapiens	Residual Activity	=	88.0	%	PMID[519046]
NPT880	Individual Protein	Protein kinase C gamma	Homo sapiens	Residual Activity	=	97.0	%	PMID[519046]
NPT880	Individual Protein	Protein kinase C gamma	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT881	Individual Protein	Protein kinase C delta	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Residual Activity	=	103.0	%	PMID[519046]
NPT881	Individual Protein	Protein kinase C delta	Homo sapiens	Residual Activity	=	104.0	%	PMID[519046]
NPT761	Individual Protein	Protein kinase C epsilon	Homo sapiens	Residual Activity	=	93.0	%	PMID[519046]
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Residual Activity	=	116.0	%	PMID[519046]
NPT761	Individual Protein	Protein kinase C epsilon	Homo sapiens	Residual Activity	=	94.0	%	PMID[519046]
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Residual Activity	=	101.0	%	PMID[519046]
NPT2	Others	Unspecified		AC50	=	358.0	nM	PMID[519047]
NPT1561	Protein Complex	Cyclin-dependent kinase 1/cyclin B1	Homo sapiens	IC50	>	100000.0	nM	PMID[519048]
NPT4158	Protein Complex	CDK2/Cyclin A	Homo sapiens	IC50	=	500000.0	nM	PMID[519048]
NPT3944	Protein Complex	Cyclin-dependent kinase 2/cyclin E1	Homo sapiens	IC50	>	50000.0	nM	PMID[519048]
NPT1560	Protein Complex	Cyclin-dependent kinase 4/cyclin D1	Homo sapiens	IC50	=	350.0	nM	PMID[519048]
NPT6421	Protein Complex	Cyclin-dependent kinase 4/cyclin D2	Homo sapiens	IC50	>	100000.0	nM	PMID[519048]
NPT6454	Protein Complex	CDK4/Cyclin D3	Homo sapiens	IC50	>	100000.0	nM	PMID[519048]
NPT1509	Protein Complex	Cyclin-dependent kinase 5/CDK5 activator 1	Homo sapiens	IC50	=	20000.0	nM	PMID[519048]
NPT4155	Protein Complex	CDK6/cyclin D1	Homo sapiens	IC50	=	3400.0	nM	PMID[519048]
NPT6350	Protein Complex	CDK6/cyclin D2	Homo sapiens	IC50	>	50000.0	nM	PMID[519048]
NPT67	Individual Protein	Cholinesterase	Equus caballus	IC50	=	90470.0	nM	PMID[519048]
NPT2	Others	Unspecified		Ratio IC50	=	60.7	n.a.	PMID[519048]
NPT67	Individual Protein	Cholinesterase	Equus caballus	Ki	=	48490.0	nM	PMID[519048]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	EC50	=	0.16	ug.mL-1	PMID[519049]

☑ 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 NPC136002 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	766
0.1-0.2	9567
0.2-0.3	14821
0.3-0.4	12015
0.4-0.5	1851
0.5-0.6	1909
0.6-0.7	1313
0.7-0.8	408
0.8-0.85	31
0.85-0.9	10
0.9-0.95	5
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9776	High Similarity	NPC471574
0.8406	Intermediate Similarity	NPC209389
0.8333	Intermediate Similarity	NPC117032
0.8296	Intermediate Similarity	NPC257490
0.8278	Intermediate Similarity	NPC295021
0.8255	Intermediate Similarity	NPC237649
0.8255	Intermediate Similarity	NPC300596
0.8207	Intermediate Similarity	NPC207554
0.8151	Intermediate Similarity	NPC471164
0.8056	Intermediate Similarity	NPC300299
0.805	Intermediate Similarity	NPC471943
0.8015	Intermediate Similarity	NPC291962
0.8015	Intermediate Similarity	NPC177684
0.7956	Intermediate Similarity	NPC279385
0.7956	Intermediate Similarity	NPC112373
0.7956	Intermediate Similarity	NPC258531
0.7956	Intermediate Similarity	NPC161956
0.7956	Intermediate Similarity	NPC179605
0.7905	Intermediate Similarity	NPC2823
0.7899	Intermediate Similarity	NPC103292
0.7842	Intermediate Similarity	NPC268534
0.7805	Intermediate Similarity	NPC284775
0.7786	Intermediate Similarity	NPC254698
0.7724	Intermediate Similarity	NPC207428
0.7683	Intermediate Similarity	NPC469529
0.7606	Intermediate Similarity	NPC192533
0.7603	Intermediate Similarity	NPC40364
0.7574	Intermediate Similarity	NPC187036
0.7516	Intermediate Similarity	NPC470822
0.7515	Intermediate Similarity	NPC117027
0.7466	Intermediate Similarity	NPC194562
0.7465	Intermediate Similarity	NPC39818
0.7445	Intermediate Similarity	NPC296163
0.7417	Intermediate Similarity	NPC83214
0.741	Intermediate Similarity	NPC252572
0.7407	Intermediate Similarity	NPC476231
0.7399	Intermediate Similarity	NPC473666
0.7396	Intermediate Similarity	NPC73994
0.7383	Intermediate Similarity	NPC316104
0.7383	Intermediate Similarity	NPC162417
0.7376	Intermediate Similarity	NPC226143
0.7368	Intermediate Similarity	NPC21429
0.7357	Intermediate Similarity	NPC192209
0.733	Intermediate Similarity	NPC304203
0.733	Intermediate Similarity	NPC326422
0.7326	Intermediate Similarity	NPC133003
0.7317	Intermediate Similarity	NPC115232
0.7314	Intermediate Similarity	NPC476460
0.7267	Intermediate Similarity	NPC477003
0.7257	Intermediate Similarity	NPC324091
0.7251	Intermediate Similarity	NPC191415
0.725	Intermediate Similarity	NPC281094
0.7234	Intermediate Similarity	NPC313449
0.723	Intermediate Similarity	NPC472245
0.7197	Intermediate Similarity	NPC324445
0.7162	Intermediate Similarity	NPC150863
0.7151	Intermediate Similarity	NPC472293
0.7133	Intermediate Similarity	NPC53044
0.7132	Intermediate Similarity	NPC172170
0.7124	Intermediate Similarity	NPC122553
0.7118	Intermediate Similarity	NPC151635
0.7108	Intermediate Similarity	NPC42372
0.7095	Intermediate Similarity	NPC476950
0.7093	Intermediate Similarity	NPC88110
0.7092	Intermediate Similarity	NPC288232
0.7091	Intermediate Similarity	NPC88970
0.7091	Intermediate Similarity	NPC214106
0.7089	Intermediate Similarity	NPC467188
0.7086	Intermediate Similarity	NPC141612
0.7086	Intermediate Similarity	NPC17273
0.7086	Intermediate Similarity	NPC135601
0.7083	Intermediate Similarity	NPC472118
0.7079	Intermediate Similarity	NPC472292
0.7076	Intermediate Similarity	NPC83774
0.7049	Intermediate Similarity	NPC471944
0.7035	Intermediate Similarity	NPC475094
0.7033	Intermediate Similarity	NPC472297
0.7033	Intermediate Similarity	NPC472296
0.703	Intermediate Similarity	NPC27904
0.7024	Intermediate Similarity	NPC70949
0.7017	Intermediate Similarity	NPC167710
0.7011	Intermediate Similarity	NPC102755
0.7011	Intermediate Similarity	NPC470205
0.7006	Intermediate Similarity	NPC471130
0.7	Intermediate Similarity	NPC100726
0.7	Intermediate Similarity	NPC314431
0.7	Intermediate Similarity	NPC280807
0.6994	Remote Similarity	NPC61011
0.6988	Remote Similarity	NPC242116
0.6973	Remote Similarity	NPC317701
0.6964	Remote Similarity	NPC114637
0.6961	Remote Similarity	NPC79356
0.6961	Remote Similarity	NPC102592
0.6959	Remote Similarity	NPC293216
0.6957	Remote Similarity	NPC144691
0.6951	Remote Similarity	NPC84317
0.6946	Remote Similarity	NPC271797
0.6946	Remote Similarity	NPC113056
0.6946	Remote Similarity	NPC21174
0.6946	Remote Similarity	NPC138293
0.6943	Remote Similarity	NPC238499
0.6941	Remote Similarity	NPC355
0.6933	Remote Similarity	NPC251391
0.6928	Remote Similarity	NPC184437
0.6919	Remote Similarity	NPC471743
0.6914	Remote Similarity	NPC471655
0.6909	Remote Similarity	NPC76982
0.6906	Remote Similarity	NPC202812
0.6897	Remote Similarity	NPC475685
0.6894	Remote Similarity	NPC105811
0.6889	Remote Similarity	NPC272458
0.6889	Remote Similarity	NPC216550
0.6887	Remote Similarity	NPC9856
0.6887	Remote Similarity	NPC187231
0.6882	Remote Similarity	NPC65080
0.6879	Remote Similarity	NPC301760
0.6875	Remote Similarity	NPC46895
0.6871	Remote Similarity	NPC70406
0.6867	Remote Similarity	NPC154478
0.686	Remote Similarity	NPC475594
0.6859	Remote Similarity	NPC469560
0.6855	Remote Similarity	NPC130797
0.6848	Remote Similarity	NPC81535
0.6848	Remote Similarity	NPC106118
0.6845	Remote Similarity	NPC265100
0.6842	Remote Similarity	NPC316746
0.6839	Remote Similarity	NPC475761
0.6835	Remote Similarity	NPC302790
0.6821	Remote Similarity	NPC475607
0.6815	Remote Similarity	NPC472243
0.6815	Remote Similarity	NPC130251
0.6802	Remote Similarity	NPC161861
0.68	Remote Similarity	NPC477042
0.6796	Remote Similarity	NPC47190
0.6788	Remote Similarity	NPC209362
0.6786	Remote Similarity	NPC293458
0.6782	Remote Similarity	NPC474081
0.6772	Remote Similarity	NPC43477
0.6772	Remote Similarity	NPC471155
0.6772	Remote Similarity	NPC316202
0.6771	Remote Similarity	NPC473218
0.6771	Remote Similarity	NPC470702
0.6766	Remote Similarity	NPC80681
0.6761	Remote Similarity	NPC470677
0.6758	Remote Similarity	NPC81802
0.6758	Remote Similarity	NPC247735
0.6758	Remote Similarity	NPC269886
0.6758	Remote Similarity	NPC472295
0.6758	Remote Similarity	NPC472210
0.6757	Remote Similarity	NPC237414
0.6757	Remote Similarity	NPC477004
0.6748	Remote Similarity	NPC123906
0.6744	Remote Similarity	NPC6982
0.6743	Remote Similarity	NPC474041
0.6742	Remote Similarity	NPC476341
0.6737	Remote Similarity	NPC270241
0.6736	Remote Similarity	NPC470703
0.673	Remote Similarity	NPC472241
0.6727	Remote Similarity	NPC200743
0.6726	Remote Similarity	NPC470680
0.6726	Remote Similarity	NPC100104
0.672	Remote Similarity	NPC225400
0.6713	Remote Similarity	NPC57051
0.6712	Remote Similarity	NPC264580
0.6707	Remote Similarity	NPC313889
0.6707	Remote Similarity	NPC477887
0.6707	Remote Similarity	NPC473878
0.6706	Remote Similarity	NPC71132
0.6687	Remote Similarity	NPC478040
0.6687	Remote Similarity	NPC277157
0.6687	Remote Similarity	NPC314287
0.6686	Remote Similarity	NPC157583
0.6686	Remote Similarity	NPC469741
0.6686	Remote Similarity	NPC237188
0.6685	Remote Similarity	NPC467063
0.6685	Remote Similarity	NPC472116
0.6685	Remote Similarity	NPC154339
0.6684	Remote Similarity	NPC470786
0.6684	Remote Similarity	NPC471194
0.6684	Remote Similarity	NPC471193
0.6684	Remote Similarity	NPC472538
0.6667	Remote Similarity	NPC478039
0.6667	Remote Similarity	NPC474492
0.6667	Remote Similarity	NPC470679
0.6667	Remote Similarity	NPC217021
0.6649	Remote Similarity	NPC471199
0.6648	Remote Similarity	NPC99939
0.6648	Remote Similarity	NPC308931
0.6647	Remote Similarity	NPC262338
0.6647	Remote Similarity	NPC318183
0.6647	Remote Similarity	NPC189116
0.6647	Remote Similarity	NPC478184
0.6646	Remote Similarity	NPC314186
0.6645	Remote Similarity	NPC58827
0.6645	Remote Similarity	NPC72473
0.6645	Remote Similarity	NPC307437
0.6645	Remote Similarity	NPC478079
0.6632	Remote Similarity	NPC471191
0.6631	Remote Similarity	NPC121327
0.663	Remote Similarity	NPC221873

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 NPC136002 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	388
0.1-0.2	806
0.2-0.3	940
0.3-0.4	2322
0.4-0.5	2097
0.5-0.6	1787
0.6-0.7	723
0.7-0.8	82
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8333	Intermediate Similarity	NPD3248	Phase 1
0.8054	Intermediate Similarity	NPD6017	Discontinued
0.7902	Intermediate Similarity	NPD486	Clinical (unspecified phase)
0.7724	Intermediate Similarity	NPD1919	Approved
0.7724	Intermediate Similarity	NPD1920	Approved
0.7671	Intermediate Similarity	NPD1527	Phase 2
0.7532	Intermediate Similarity	NPD1524	Phase 1
0.7468	Intermediate Similarity	NPD2790	Discontinued
0.7467	Intermediate Similarity	NPD6342	Discontinued
0.7432	Intermediate Similarity	NPD1541	Approved
0.7415	Intermediate Similarity	NPD4300	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD4848	Phase 1
0.7338	Intermediate Similarity	NPD4464	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD441	Approved
0.7296	Intermediate Similarity	NPD1854	Approved
0.7267	Intermediate Similarity	NPD951	Approved
0.7241	Intermediate Similarity	NPD4988	Discontinued
0.7234	Intermediate Similarity	NPD7480	Approved
0.7234	Intermediate Similarity	NPD7481	Approved
0.7215	Intermediate Similarity	NPD979	Approved
0.7215	Intermediate Similarity	NPD4939	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD7072	Phase 2
0.72	Intermediate Similarity	NPD2950	Approved
0.72	Intermediate Similarity	NPD2949	Approved
0.72	Intermediate Similarity	NPD1874	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD1175	Approved
0.7193	Intermediate Similarity	NPD5473	Discontinued
0.7179	Intermediate Similarity	NPD5918	Discontinued
0.7161	Intermediate Similarity	NPD6512	Approved
0.7161	Intermediate Similarity	NPD6513	Approved
0.716	Intermediate Similarity	NPD7662	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD7091	Discontinued
0.7151	Intermediate Similarity	NPD4011	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD5932	Phase 3
0.7134	Intermediate Similarity	NPD5931	Phase 3
0.7134	Intermediate Similarity	NPD5933	Phase 3
0.7107	Intermediate Similarity	NPD4942	Approved
0.7099	Intermediate Similarity	NPD4045	Phase 2
0.7099	Intermediate Similarity	NPD4042	Phase 2
0.7097	Intermediate Similarity	NPD3434	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD1291	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD6740	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD1668	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD6768	Approved
0.7051	Intermediate Similarity	NPD6566	Discontinued
0.7022	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD1640	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD2479	Phase 3
0.6994	Remote Similarity	NPD2481	Approved
0.6993	Remote Similarity	NPD2470	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD1619	Phase 3
0.6951	Remote Similarity	NPD2351	Discontinued
0.6936	Remote Similarity	NPD3077	Approved
0.6936	Remote Similarity	NPD2590	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD3076	Approved
0.6936	Remote Similarity	NPD3079	Approved
0.6936	Remote Similarity	NPD3078	Approved
0.6934	Remote Similarity	NPD993	Approved
0.6934	Remote Similarity	NPD990	Approved
0.6913	Remote Similarity	NPD1593	Approved
0.6913	Remote Similarity	NPD2840	Approved
0.6903	Remote Similarity	NPD4077	Clinical (unspecified phase)
0.6902	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD1306	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD7220	Approved
0.6882	Remote Similarity	NPD2369	Discontinued
0.6867	Remote Similarity	NPD1630	Approved
0.6864	Remote Similarity	NPD4643	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD6655	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD3246	Discontinued
0.6848	Remote Similarity	NPD6855	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD4549	Discontinued
0.6821	Remote Similarity	NPD1781	Discontinued
0.6802	Remote Similarity	NPD3868	Phase 1
0.6802	Remote Similarity	NPD4524	Discontinued
0.6798	Remote Similarity	NPD5820	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD6301	Phase 2
0.6786	Remote Similarity	NPD5400	Approved
0.6784	Remote Similarity	NPD1575	Approved
0.6784	Remote Similarity	NPD1573	Approved
0.6782	Remote Similarity	NPD3792	Approved
0.6776	Remote Similarity	NPD2919	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD2918	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD1222	Discontinued
0.6772	Remote Similarity	NPD4461	Discontinued
0.6766	Remote Similarity	NPD4393	Approved
0.6766	Remote Similarity	NPD33	Approved
0.6765	Remote Similarity	NPD4645	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD1626	Approved
0.6748	Remote Similarity	NPD2737	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD5748	Phase 2
0.6746	Remote Similarity	NPD1631	Approved
0.673	Remote Similarity	NPD3482	Approved
0.6728	Remote Similarity	NPD7088	Discontinued
0.6728	Remote Similarity	NPD4402	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD6454	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD1343	Approved
0.6723	Remote Similarity	NPD3318	Approved
0.6723	Remote Similarity	NPD3320	Approved
0.6723	Remote Similarity	NPD3319	Phase 1
0.6705	Remote Similarity	NPD4329	Approved
0.6705	Remote Similarity	NPD7014	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD4330	Approved
0.6704	Remote Similarity	NPD4940	Approved
0.6704	Remote Similarity	NPD5809	Phase 3
0.6703	Remote Similarity	NPD4922	Phase 2
0.669	Remote Similarity	NPD2463	Approved
0.669	Remote Similarity	NPD2464	Approved
0.669	Remote Similarity	NPD2467	Approved
0.6689	Remote Similarity	NPD1079	Discontinued
0.6689	Remote Similarity	NPD1124	Approved
0.6689	Remote Similarity	NPD1123	Approved
0.6688	Remote Similarity	NPD3864	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD5527	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD5526	Phase 2
0.6687	Remote Similarity	NPD1270	Approved
0.6686	Remote Similarity	NPD5840	Discontinued
0.6685	Remote Similarity	NPD1851	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD1905	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD4412	Phase 2
0.6685	Remote Similarity	NPD7564	Discontinued
0.6667	Remote Similarity	NPD4948	Discontinued
0.6667	Remote Similarity	NPD5839	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9541	Approved
0.6667	Remote Similarity	NPD9539	Approved
0.6667	Remote Similarity	NPD2331	Discontinued
0.6648	Remote Similarity	NPD3782	Discontinued
0.6648	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD2336	Approved
0.6646	Remote Similarity	NPD4043	Approved
0.6646	Remote Similarity	NPD3481	Approved
0.6646	Remote Similarity	NPD4046	Approved
0.6644	Remote Similarity	NPD4775	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD6299	Approved
0.6643	Remote Similarity	NPD6300	Approved
0.6628	Remote Similarity	NPD2037	Approved
0.6625	Remote Similarity	NPD2365	Approved
0.6624	Remote Similarity	NPD5227	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD4985	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD5937	Approved
0.6609	Remote Similarity	NPD7443	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD2915	Discontinued
0.6597	Remote Similarity	NPD5179	Approved
0.6597	Remote Similarity	NPD5181	Approved
0.6597	Remote Similarity	NPD5180	Approved
0.6596	Remote Similarity	NPD477	Phase 1
0.659	Remote Similarity	NPD3376	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD4888	Discontinued
0.6584	Remote Similarity	NPD1625	Approved
0.6584	Remote Similarity	NPD2820	Phase 3
0.6579	Remote Similarity	NPD797	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD3947	Discontinued
0.6579	Remote Similarity	NPD9540	Approved
0.6578	Remote Similarity	NPD8050	Clinical (unspecified phase)
0.6577	Remote Similarity	NPD678	Discontinued
0.6575	Remote Similarity	NPD2770	Discontinued
0.6571	Remote Similarity	NPD1064	Approved
0.6571	Remote Similarity	NPD1065	Approved
0.6562	Remote Similarity	NPD569	Clinical (unspecified phase)
0.6559	Remote Similarity	NPD7572	Phase 2
0.6556	Remote Similarity	NPD6557	Phase 2
0.6552	Remote Similarity	NPD2432	Approved
0.6552	Remote Similarity	NPD2431	Approved
0.6552	Remote Similarity	NPD5631	Phase 3
0.6545	Remote Similarity	NPD2008	Discontinued
0.6543	Remote Similarity	NPD6506	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD7254	Discontinued
0.6534	Remote Similarity	NPD4075	Phase 2
0.6534	Remote Similarity	NPD4385	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD2413	Phase 2
0.6532	Remote Similarity	NPD2404	Discontinued
0.6529	Remote Similarity	NPD2506	Approved
0.6526	Remote Similarity	NPD6176	Phase 1
0.6522	Remote Similarity	NPD7569	Approved
0.6522	Remote Similarity	NPD1189	Approved
0.6522	Remote Similarity	NPD7786	Discontinued
0.6522	Remote Similarity	NPD7570	Approved
0.6519	Remote Similarity	NPD1883	Approved
0.6517	Remote Similarity	NPD3989	Phase 3
0.6517	Remote Similarity	NPD5146	Suspended
0.6513	Remote Similarity	NPD2411	Approved
0.6505	Remote Similarity	NPD2307	Discontinued
0.65	Remote Similarity	NPD5923	Phase 1
0.65	Remote Similarity	NPD2197	Approved
0.65	Remote Similarity	NPD2192	Approved
0.6497	Remote Similarity	NPD7065	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD3393	Approved
0.6497	Remote Similarity	NPD3389	Approved
0.6497	Remote Similarity	NPD3394	Approved
0.6497	Remote Similarity	NPD5755	Clinical (unspecified phase)
0.6492	Remote Similarity	NPD5901	Discontinued
0.6492	Remote Similarity	NPD4299	Phase 1
0.6486	Remote Similarity	NPD4348	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD4432	Discontinued
0.6485	Remote Similarity	NPD5556	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD5020	Approved
0.6481	Remote Similarity	NPD5024	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