Results

Download as: CSV TSV

Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: CC1=C(C(=C2C(=C1)C=CC(=C2O)C3=C(C4=C(C(=C(C=C4C=C3)C)C(=O)C)O)O)O)C(=O)C Prepared SMILES: CC(=O)c1c(C)cc2c(c1O)c(O)c(cc2)c1ccc2c(c1O)c(O)c(c(c2)C)C(=O)C	Q92731	Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...	Nuclear hormone receptor family, NR3 subfamily	ESR2	2100;	Homo sapiens (Human)	0.00133648	1
	P11511	Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...	Cytochrome P450 family	CYP19A1	1588;	Homo sapiens (Human)	0.00114486	2
	P14902	Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase)	Indoleamine 2,3-dioxygenase family	IDO1	3620;	Homo sapiens (Human)	0.00103327	3
	P03372	Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...	Nuclear hormone receptor family, NR3 subfamily	ESR1	2099;	Homo sapiens (Human)	0.00102517	4
	P19099	Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...	Cytochrome P450 family	CYP11B2	1585;	Homo sapiens (Human)	0.000956176	5
	P27338	Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...	Flavin monoamine oxidase family	MAOB	4129;	Homo sapiens (Human)	0.000917149	6
	P15538	Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...	Cytochrome P450 family	CYP11B1	1584;	Homo sapiens (Human)	0.000915233	7
	P78527	DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...	PI3/PI4-kinase family	PRKDC	5591;	Homo sapiens (Human)	0.000803831	8
	P16083	Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...	NAD(P)H dehydrogenase (quinone) family	NQO2	4835;	Homo sapiens (Human)	0.000745489	9
	Q16790	Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA9	768;	Homo sapiens (Human)	0.000694441	10
	P05093	Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...	Cytochrome P450 family	CYP17A1	1586;	Homo sapiens (Human)	0.000529612	11
	P09874	Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...		PARP1	142;	Homo sapiens (Human)	0.000524399	12
	P15559	NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ...	NAD(P)H dehydrogenase (quinone) family	NQO1	1728;	Homo sapiens (Human)	0.000494562	13
	P18031	Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ...	Protein-tyrosine phosphatase family, Non-receptor class 1 subfamily	PTPN1	5770;	Homo sapiens (Human)	0.000489793	14
	P23141	Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...	Type-B carboxylesterase/lipase family	CES1	1066;	Homo sapiens (Human)	0.000458954	15
	P34972	Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)	G-protein coupled receptor 1 family	CNR2	1269;	Homo sapiens (Human)	0.000448758	16
	P11926	Ornithine decarboxylase (ODC) (EC 4.1.1.17)	Orn/Lys/Arg decarboxylase class-II family	ODC1	4953;	Homo sapiens (Human)	0.000423586	17
	P31645	Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamily	SLC6A4	6532;	Homo sapiens (Human)	0.000418625	18
	O00748	Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...	Type-B carboxylesterase/lipase family	CES2	8824;	Homo sapiens (Human)	0.000407224	19
	P56817	Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...	Peptidase A1 family	BACE1	23621;	Homo sapiens (Human)	0.000399239	20

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
723	2021-01-14 16:24:58	Target proteins	Balanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)	Global drug-target interaction (DTI) network (version 2020)	Klekota-Roth (KR)	α = 0.4, β = 0.3, γ = -0.6, k = 2, Top 20

Results

[1] Untitled

Job Information