Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8[O-])C(=O)O)C=C(C=C4[O-])C(=O)O.[Ca+2] Prepared SMILES: OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[O-])C(=O)O)cc(cc2[O-])C(=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
	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)	2.7634	2
	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)	2.08493	3
	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)	Tyrosyl-DNA phosphodiesterase family	TDP1	55775;	Homo sapiens (Human)	2.05518	4
	P31213	3-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ...	Steroid 5-alpha reductase family	SRD5A2	6716;	Homo sapiens (Human)	2.05264	5
	P10826	Retinoic acid receptor beta (RAR-beta) (HBV-activated protein) (Nuclear receptor subfamily ...	Nuclear hormone receptor family, NR1 subfamily	RARB	5915;	Homo sapiens (Human)	1.98857	6
	Q04609	Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...	Peptidase M28 family, M28B subfamily	FOLH1	2346;	Homo sapiens (Human)	1.97477	7
	P13631	Retinoic acid receptor gamma (RAR-gamma) (Nuclear receptor subfamily 1 group ...	Nuclear hormone receptor family, NR1 subfamily	RARG	5916;	Homo sapiens (Human)	1.97124	8
	O43570	Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA12	771;	Homo sapiens (Human)	1.96249	9
	P34972	Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)	G-protein coupled receptor 1 family	CNR2	1269;	Homo sapiens (Human)	1.9042	10
	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)	1.73319	11
	P42574	Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ...	Peptidase C14A family	CASP3	836;	Homo sapiens (Human)	1.64976	12
	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	1.58223	13
	P00749	Urokinase-type plasminogen activator (U-plasminogen activator) (uPA) (EC 3.4.21.73) [Cleaved into: ...	Peptidase S1 family	PLAU	5328;	Homo sapiens (Human)	1.55504	14
	P43166	Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA7	766;	Homo sapiens (Human)	1.53326	15
	P0DMS8	Adenosine receptor A3	G-protein coupled receptor 1 family	ADORA3	140;	Homo sapiens (Human)	1.52715	16
	P35367	Histamine H1 receptor (H1R) (HH1R)	G-protein coupled receptor 1 family	HRH1	3269;	Homo sapiens (Human)	1.52361	17
	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)	1.51711	18
	P11413	Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)	Glucose-6-phosphate dehydrogenase family	G6PD	2539;	Homo sapiens (Human)	1.51118	19
	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)	1.48948	20
	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)	1.42597	21
	P50579	Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation ...	Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamily	METAP2	10988;	Homo sapiens (Human)	1.34681	22
	P29274	Adenosine receptor A2a	G-protein coupled receptor 1 family	ADORA2A	135;	Homo sapiens (Human)	1.31883	23
	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)	1.28443	24
	P00742	Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...	Peptidase S1 family	F10	2159;	Homo sapiens (Human)	1.25874	25
	Q15391	P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)	G-protein coupled receptor 1 family	P2RY14	9934;	Homo sapiens (Human)	1.25011	26
	P32320	Cytidine deaminase (EC 3.5.4.5) (Cytidine aminohydrolase)	Cytidine and deoxycytidylate deaminase family	CDA	978;	Homo sapiens (Human)	1.24346	27
	P42330	Aldo-keto reductase family 1 member C3 (EC 1.-.-.-) (17-beta-hydroxysteroid dehydrogenase ...	Aldo/keto reductase family	AKR1C3	8644;	Homo sapiens (Human)	1.23466	28
	O95822	Malonyl-CoA decarboxylase, mitochondrial (MCD) (EC 4.1.1.9)		MLYCD	23417;	Homo sapiens (Human)	1.20393	29
	P20309	Muscarinic acetylcholine receptor M3	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...	CHRM3	1131;	Homo sapiens (Human)	1.13841	30
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	1.13256	31
	P21554	Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)	G-protein coupled receptor 1 family	CNR1	1268;	Homo sapiens (Human)	1.11531	32
	P08172	Muscarinic acetylcholine receptor M2	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...	CHRM2	1129;	Homo sapiens (Human)	1.09811	33
	P08173	Muscarinic acetylcholine receptor M4	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...	CHRM4	1132;	Homo sapiens (Human)	1.07594	34
	P48039	Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)	G-protein coupled receptor 1 family	MTNR1A	4543;	Homo sapiens (Human)	1.07519	35
	P00918	Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA2	760;	Homo sapiens (Human)	1.06281	36
	P28223	5-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)	G-protein coupled receptor 1 family	HTR2A	3356;	Homo sapiens (Human)	1.05908	37
	P11229	Muscarinic acetylcholine receptor M1	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...	CHRM1	1128;	Homo sapiens (Human)	1.04369	38
	P17252	Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)	Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily	PRKCA	5578;	Homo sapiens (Human)	1.03705	39
	O00519	Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...	Amidase family	FAAH	2166;	Homo sapiens (Human)	1.03574	40
	Q16790	Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA9	768;	Homo sapiens (Human)	1.03493	41
	O60755	Galanin receptor type 3 (GAL3-R) (GALR-3)	G-protein coupled receptor 1 family	GALR3	8484;	Homo sapiens (Human)	1.03099	42
	P08912	Muscarinic acetylcholine receptor M5	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...	CHRM5	1133;	Homo sapiens (Human)	1.0121	43
	P33261	Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...	Cytochrome P450 family	CYP2C19	1557;	Homo sapiens (Human)	1.00001	44
	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)	0.991573	45
	Q99808	Equilibrative nucleoside transporter 1 (Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter) (Equilibrative ...	SLC29A/ENT transporter (TC 2.A.57) family	SLC29A1	2030;	Homo sapiens (Human)	0.9569	46
	P03372	Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...	Nuclear hormone receptor family, NR3 subfamily	ESR1	2099;	Homo sapiens (Human)	0.942917	47
	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)	0.939803	48
	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)	0.924993	49
	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)	0.898012	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
18836	2025-11-04 00:25:08	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