Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O Prepared SMILES: Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	Q9NY91	Solute carrier family 5 member 4	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A4	6527;	Homo sapiens (Human)	2.89233	1
	P43166	Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA7	766;	Homo sapiens (Human)	2.62189	2
	P22748	Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA4	762;	Homo sapiens (Human)	2.54438	3
	P04746	Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)	Glycosyl hydrolase 13 family	AMY2A	279;	Homo sapiens (Human)	2.42198	4
	P11511	Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...	Cytochrome P450 family	CYP19A1	1588;	Homo sapiens (Human)	2.34955	5
	P27169	Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ...	Paraoxonase family	PON1	5444;	Homo sapiens (Human)	2.30554	6
	Q92731	Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...	Nuclear hormone receptor family, NR3 subfamily	ESR2	2100;	Homo sapiens (Human)	2.11777	7
	P00918	Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA2	760;	Homo sapiens (Human)	2.09084	8
	P21554	Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)	G-protein coupled receptor 1 family	CNR1	1268;	Homo sapiens (Human)	2.02078	9
	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)	1.76531	10
	P34972	Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)	G-protein coupled receptor 1 family	CNR2	1269;	Homo sapiens (Human)	1.73676	11
	P41143	Delta-type opioid receptor (D-OR-1) (DOR-1)	G-protein coupled receptor 1 family	OPRD1	4985;	Homo sapiens (Human)	1.72394	12
	P51582	P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)	G-protein coupled receptor 1 family	P2RY4	5030;	Homo sapiens (Human)	1.70482	13
	P35462	D(3) dopamine receptor (Dopamine D3 receptor)	G-protein coupled receptor 1 family	DRD3	1814;	Homo sapiens (Human)	1.69473	14
	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...	G-protein coupled receptor 1 family	GPR17	2840;	Homo sapiens (Human)	1.6434	15
	P60842	Eukaryotic initiation factor 4A-I (eIF-4A-I) (eIF4A-I) (EC 3.6.4.13) (ATP-dependent RNA ...	DEAD box helicase family, eIF4A subfamily	EIF4A1	1973;	Homo sapiens (Human)	1.63617	16
	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)	1.63599	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)	1.60555	18
	O43570	Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA12	771;	Homo sapiens (Human)	1.59511	19
	P48067	Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamily	SLC6A9	6536;	Homo sapiens (Human)	1.57703	20
	Q15077	P2Y purinoceptor 6 (P2Y6)	G-protein coupled receptor 1 family	P2RY6	5031;	Homo sapiens (Human)	1.54461	21
	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)	1.5111	22
	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)	Tyrosyl-DNA phosphodiesterase family	TDP1	55775;	Homo sapiens (Human)	1.49681	23
	P03372	Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...	Nuclear hormone receptor family, NR3 subfamily	ESR1	2099;	Homo sapiens (Human)	1.4631	24
	P07550	Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamily	ADRB2	154;	Homo sapiens (Human)	1.44668	25
	P14416	D(2) dopamine receptor (Dopamine D2 receptor)	G-protein coupled receptor 1 family	DRD2	1813;	Homo sapiens (Human)	1.44352	26
	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)	1.42099	27
	O00519	Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...	Amidase family	FAAH	2166;	Homo sapiens (Human)	1.37092	28
	O43193	Motilin receptor (G-protein coupled receptor 38)	G-protein coupled receptor 1 family	MLNR	2862;	Homo sapiens (Human)	1.32804	29
	P10275	Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...	Nuclear hormone receptor family, NR3 subfamily	AR	367;	Homo sapiens (Human)	1.30559	30
	P11413	Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)	Glucose-6-phosphate dehydrogenase family	G6PD	2539;	Homo sapiens (Human)	1.30397	31
	P22303	Acetylcholinesterase (AChE) (EC 3.1.1.7)	Type-B carboxylesterase/lipase family	ACHE	43;	Homo sapiens (Human)	1.29523	32
	P00915	Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA1	759;	Homo sapiens (Human)	1.28063	33
	P06276	Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...	Type-B carboxylesterase/lipase family	BCHE	590;	Homo sapiens (Human)	1.27907	34
	P12872	Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]	Motilin family	MLN	4295;	Homo sapiens (Human)	1.26947	35
	Q15391	P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)	G-protein coupled receptor 1 family	P2RY14	9934;	Homo sapiens (Human)	1.26178	36
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	1.25692	37
	P55263	Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)	Carbohydrate kinase PfkB family	ADK	132;	Homo sapiens (Human)	1.19331	38
	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)	1.18897	39
	P27338	Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...	Flavin monoamine oxidase family	MAOB	4129;	Homo sapiens (Human)	1.05722	40
	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)	1.05114	41
	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	1.04511	42
	Q9ULY5	C-type lectin domain family 4 member E (C-type lectin superfamily ...		CLEC4E	26253;	Homo sapiens (Human)	1.04133	43
	P23280	Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA6	765;	Homo sapiens (Human)	0.989197	44
	Q9HCG7	Non-lysosomal glucosylceramidase (NLGase) (EC 3.2.1.45) (Beta-glucocerebrosidase 2) (Beta-glucosidase 2) (Bile ...	Non-lysosomal glucosylceramidase family	GBA2	57704;	Homo sapiens (Human)	0.989172	45
	Q96LB1	Mas-related G-protein coupled receptor member X2	G-protein coupled receptor 1 family, Mas subfamily	MRGPRX2	117194;	Homo sapiens (Human)	0.975542	46
	P41231	P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) ...	G-protein coupled receptor 1 family	P2RY2	5029;	Homo sapiens (Human)	0.974021	47
	P08588	Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamily	ADRB1	153;	Homo sapiens (Human)	0.973468	48
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	0.960509	49
	Q13547	Histone deacetylase 1 (HD1) (EC 3.5.1.98)	Histone deacetylase family, HD type 1 subfamily	HDAC1	3065;	Homo sapiens (Human)	0.951495	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
19905	2025-12-27 19:36:30	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