Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3o2)cc1O Prepared SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(c(c1)O)OC)O	P31639	Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A2	6524;	Homo sapiens (Human)	3.51284	1
	Q9NY91	Solute carrier family 5 member 4	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A4	6527;	Homo sapiens (Human)	2.89233	2
	Q16678	Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)	Cytochrome P450 family	CYP1B1	1545;	Homo sapiens (Human)	2.838	3
	Q92731	Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...	Nuclear hormone receptor family, NR3 subfamily	ESR2	2100;	Homo sapiens (Human)	2.39979	4
	P43166	Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA7	766;	Homo sapiens (Human)	2.37345	5
	P05067	Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...	APP family	APP	351;	Homo sapiens (Human)	2.18221	6
	O43570	Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA12	771;	Homo sapiens (Human)	2.17089	7
	P04798	Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...	Cytochrome P450 family	CYP1A1	1543;	Homo sapiens (Human)	2.0853	8
	P11511	Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...	Cytochrome P450 family	CYP19A1	1588;	Homo sapiens (Human)	2.02153	9
	Q16539	Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...	Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...	MAPK14	1432;	Homo sapiens (Human)	1.9096	10
	Q96GD4	Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...	Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamily	AURKB	9212;	Homo sapiens (Human)	1.8348	11
	P19099	Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...	Cytochrome P450 family	CYP11B2	1585;	Homo sapiens (Human)	1.64285	12
	P03372	Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...	Nuclear hormone receptor family, NR3 subfamily	ESR1	2099;	Homo sapiens (Human)	1.62461	13
	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	1.48635	14
	P53779	Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...	Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...	MAPK10	5602;	Homo sapiens (Human)	1.43946	15
	P34972	Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)	G-protein coupled receptor 1 family	CNR2	1269;	Homo sapiens (Human)	1.42714	16
	Q8WWX8	Sodium/myo-inositol cotransporter 2 (Na(+)/myo-inositol cotransporter 2) (Sodium-dependent glucose cotransporter) (Sodium/glucose ...	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A11	115584;	Homo sapiens (Human)	1.42022	17
	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)	1.40319	18
	P15538	Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...	Cytochrome P450 family	CYP11B1	1584;	Homo sapiens (Human)	1.37861	19
	P29274	Adenosine receptor A2a	G-protein coupled receptor 1 family	ADORA2A	135;	Homo sapiens (Human)	1.26463	20
	P00533	Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...	Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamily	EGFR	1956;	Homo sapiens (Human)	1.21038	21
	P78527	DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...	PI3/PI4-kinase family	PRKDC	5591;	Homo sapiens (Human)	1.1731	22
	P48039	Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)	G-protein coupled receptor 1 family	MTNR1A	4543;	Homo sapiens (Human)	1.17182	23
	P27338	Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...	Flavin monoamine oxidase family	MAOB	4129;	Homo sapiens (Human)	1.15502	24
	P20839	Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) ...	IMPDH/GMPR family	IMPDH1	3614;	Homo sapiens (Human)	1.11454	25
	Q9NY33	Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...	Peptidase M49 family	DPP3	10072;	Homo sapiens (Human)	1.05634	26
	P30542	Adenosine receptor A1	G-protein coupled receptor 1 family	ADORA1	134;	Homo sapiens (Human)	1.0392	27
	O95271	Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...		TNKS	8658;	Homo sapiens (Human)	1.02731	28
	Q9UM73	ALK tyrosine kinase receptor (EC 2.7.10.1) (Anaplastic lymphoma kinase) (CD ...	Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamily	ALK	238;	Homo sapiens (Human)	1.02671	29
	P32320	Cytidine deaminase (EC 3.5.4.5) (Cytidine aminohydrolase)	Cytidine and deoxycytidylate deaminase family	CDA	978;	Homo sapiens (Human)	1.00491	30
	Q15722	Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...	G-protein coupled receptor 1 family	LTB4R	1241;	Homo sapiens (Human)	0.958082	31
	P21554	Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)	G-protein coupled receptor 1 family	CNR1	1268;	Homo sapiens (Human)	0.931617	32
	P22303	Acetylcholinesterase (AChE) (EC 3.1.1.7)	Type-B carboxylesterase/lipase family	ACHE	43;	Homo sapiens (Human)	0.886165	33
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	0.881336	34
	Q8NER1	Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...	Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily	TRPV1	7442;	Homo sapiens (Human)	0.88008	35
	P09917	Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)	Lipoxygenase family	ALOX5	240;	Homo sapiens (Human)	0.855729	36
	P35372	Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...	G-protein coupled receptor 1 family	OPRM1	4988;	Homo sapiens (Human)	0.826837	37
	P05177	Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...	Cytochrome P450 family	CYP1A2	1544;	Homo sapiens (Human)	0.820485	38
	P14061	Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...	Short-chain dehydrogenases/reductases (SDR) family	HSD17B1	3292;	Homo sapiens (Human)	0.817668	39
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	0.814391	40
	P21397	Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...	Flavin monoamine oxidase family	MAOA	4128;	Homo sapiens (Human)	0.809098	41
	P00918	Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA2	760;	Homo sapiens (Human)	0.808834	42
	P06239	Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...	Protein kinase superfamily, Tyr protein kinase family, SRC subfamily	LCK	3932;	Homo sapiens (Human)	0.807562	43
	P29371	Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin ...	G-protein coupled receptor 1 family	TACR3	6870;	Homo sapiens (Human)	0.800942	44
	P13866	Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A1	6523;	Homo sapiens (Human)	0.787965	45
	P05121	Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...	Serpin family	SERPINE1	5054;	Homo sapiens (Human)	0.781518	46
	O76074	cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)	Cyclic nucleotide phosphodiesterase family	PDE5A	8654;	Homo sapiens (Human)	0.776013	47
	P37231	Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...	Nuclear hormone receptor family, NR1 subfamily	PPARG	5468;	Homo sapiens (Human)	0.756021	48
	P0DMS8	Adenosine receptor A3	G-protein coupled receptor 1 family	ADORA3	140;	Homo sapiens (Human)	0.755693	49
	P37059	Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...	Short-chain dehydrogenases/reductases (SDR) family	HSD17B2	3294;	Homo sapiens (Human)	0.743185	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
19297	2025-11-18 10:15:00	Target proteins	Weighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)	Global drug-target interaction (DTI) network (version 2020)	Morgan fingerprint, similar to FCFP_4 Download	α = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50	Download

Results

[1] Untitled

Job Information