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(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O Prepared SMILES: COc1ccc(cc1)c1cc(=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	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)	3.58427	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)	2.8182	3
	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	4
	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)	2.70538	5
	P05067	Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...	APP family	APP	351;	Homo sapiens (Human)	2.20163	6
	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)	2.18805	7
	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)	2.18319	8
	P04798	Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...	Cytochrome P450 family	CYP1A1	1543;	Homo sapiens (Human)	2.07661	9
	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)	2.07535	10
	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	11
	P43166	Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA7	766;	Homo sapiens (Human)	2.00529	12
	P19099	Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...	Cytochrome P450 family	CYP11B2	1585;	Homo sapiens (Human)	1.99416	13
	O43570	Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA12	771;	Homo sapiens (Human)	1.96283	14
	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	1.87539	15
	Q92731	Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...	Nuclear hormone receptor family, NR3 subfamily	ESR2	2100;	Homo sapiens (Human)	1.82969	16
	P34972	Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)	G-protein coupled receptor 1 family	CNR2	1269;	Homo sapiens (Human)	1.79285	17
	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)	1.64585	18
	P22303	Acetylcholinesterase (AChE) (EC 3.1.1.7)	Type-B carboxylesterase/lipase family	ACHE	43;	Homo sapiens (Human)	1.64009	19
	Q9NY33	Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...	Peptidase M49 family	DPP3	10072;	Homo sapiens (Human)	1.51328	20
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	1.49727	21
	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)	1.4118	22
	O00519	Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...	Amidase family	FAAH	2166;	Homo sapiens (Human)	1.39687	23
	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)	1.33605	24
	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)	1.31905	25
	P78527	DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...	PI3/PI4-kinase family	PRKDC	5591;	Homo sapiens (Human)	1.3058	26
	P15538	Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...	Cytochrome P450 family	CYP11B1	1584;	Homo sapiens (Human)	1.2906	27
	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	28
	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)	1.22279	29
	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)	1.20607	30
	P03372	Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...	Nuclear hormone receptor family, NR3 subfamily	ESR1	2099;	Homo sapiens (Human)	1.20381	31
	O43193	Motilin receptor (G-protein coupled receptor 38)	G-protein coupled receptor 1 family	MLNR	2862;	Homo sapiens (Human)	1.1962	32
	P48039	Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)	G-protein coupled receptor 1 family	MTNR1A	4543;	Homo sapiens (Human)	1.19452	33
	P41231	P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) ...	G-protein coupled receptor 1 family	P2RY2	5029;	Homo sapiens (Human)	1.17351	34
	P12872	Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]	Motilin family	MLN	4295;	Homo sapiens (Human)	1.15017	35
	P11413	Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)	Glucose-6-phosphate dehydrogenase family	G6PD	2539;	Homo sapiens (Human)	1.13609	36
	P05091	Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI)	Aldehyde dehydrogenase family	ALDH2	217;	Homo sapiens (Human)	1.13116	37
	P55263	Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)	Carbohydrate kinase PfkB family	ADK	132;	Homo sapiens (Human)	1.12876	38
	P51582	P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)	G-protein coupled receptor 1 family	P2RY4	5030;	Homo sapiens (Human)	1.11588	39
	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)	1.1153	40
	P30542	Adenosine receptor A1	G-protein coupled receptor 1 family	ADORA1	134;	Homo sapiens (Human)	1.10975	41
	P21554	Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)	G-protein coupled receptor 1 family	CNR1	1268;	Homo sapiens (Human)	1.10756	42
	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)	1.06433	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)	1.04414	44
	P27338	Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...	Flavin monoamine oxidase family	MAOB	4129;	Homo sapiens (Human)	1.00905	45
	P35348	Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamily	ADRA1A	148;	Homo sapiens (Human)	0.990335	46
	P14416	D(2) dopamine receptor (Dopamine D2 receptor)	G-protein coupled receptor 1 family	DRD2	1813;	Homo sapiens (Human)	0.973645	47
	P29274	Adenosine receptor A2a	G-protein coupled receptor 1 family	ADORA2A	135;	Homo sapiens (Human)	0.97161	48
	O95271	Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...		TNKS	8658;	Homo sapiens (Human)	0.952081	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)	0.943128	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
20043	2026-01-09 21:12:32	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