Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: O=C1C=C(OC2=C1C(C)=CC(C(C3=C4C(O)=C(C=C3C5=C[C@@H]([C@@H]([C@H](O5)C)O)N(C)C)[C@H]6C[C@@](N(C)C)(C)[C@H](O)[C@H](C)O6)=O)=C2C4=O)C(C)(C(N7C([C@H](CC([O-])=O)[N+](C)(C)C)=CN=C7S)/C=C\C)O Prepared SMILES: C/C=C\C(C(c1cc(=O)c2c(o1)c1c(cc2C)C(=O)c2c(C1=O)c(O)c(cc2C1=C[C@@H]([C@@H]([C@H](O1)C)O)N(C)C)[C@@H]1O[C@@H](C)[C@H]([C@@](C1)(C)N(C)C)O)(O)C)n1c(S)ncc1[C@@H]([N+](C)(C)C)CC(=O)[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
	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)	3.50635	2
	O43826	Glucose-6-phosphate exchanger SLC37A4 (Glucose-5-phosphate transporter) (Glucose-6-phosphate translocase) (Solute carrier family ...	Major facilitator superfamily, Organophosphate:Pi antiporter (OPA) (TC 2.A.1.4) family	SLC37A4	2542;	Homo sapiens (Human)	3.45598	3
	P04035	3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)	HMG-CoA reductase family	HMGCR	3156;	Homo sapiens (Human)	3.16625	4
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	3.06834	5
	P34972	Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)	G-protein coupled receptor 1 family	CNR2	1269;	Homo sapiens (Human)	2.84436	6
	Q9Y345	Sodium- and chloride-dependent glycine transporter 2 (GlyT-2) (GlyT2) (Solute carrier ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A5 subfamily	SLC6A5	9152;	Homo sapiens (Human)	2.79588	7
	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)	2.71663	8
	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)	2.46057	9
	P41146	Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)	G-protein coupled receptor 1 family	OPRL1	4987;	Homo sapiens (Human)	2.41025	10
	P21917	D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)	G-protein coupled receptor 1 family	DRD4	1815;	Homo sapiens (Human)	2.38209	11
	P35462	D(3) dopamine receptor (Dopamine D3 receptor)	G-protein coupled receptor 1 family	DRD3	1814;	Homo sapiens (Human)	2.18346	12
	P14416	D(2) dopamine receptor (Dopamine D2 receptor)	G-protein coupled receptor 1 family	DRD2	1813;	Homo sapiens (Human)	2.18096	13
	P28222	5-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) ...	G-protein coupled receptor 1 family	HTR1B	3351;	Homo sapiens (Human)	2.10102	14
	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)	Tyrosyl-DNA phosphodiesterase family	TDP1	55775;	Homo sapiens (Human)	2.07996	15
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	2.04565	16
	P43681	Neuronal acetylcholine receptor subunit alpha-4	Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...	CHRNA4	1137;	Homo sapiens (Human)	1.98475	17
	P19099	Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...	Cytochrome P450 family	CYP11B2	1585;	Homo sapiens (Human)	1.98024	18
	P08912	Muscarinic acetylcholine receptor M5	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...	CHRM5	1133;	Homo sapiens (Human)	1.96465	19
	P15538	Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...	Cytochrome P450 family	CYP11B1	1584;	Homo sapiens (Human)	1.93959	20
	P28335	5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...	G-protein coupled receptor 1 family	HTR2C	3358;	Homo sapiens (Human)	1.91685	21
	P08173	Muscarinic acetylcholine receptor M4	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...	CHRM4	1132;	Homo sapiens (Human)	1.82223	22
	P22303	Acetylcholinesterase (AChE) (EC 3.1.1.7)	Type-B carboxylesterase/lipase family	ACHE	43;	Homo sapiens (Human)	1.79379	23
	P11229	Muscarinic acetylcholine receptor M1	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...	CHRM1	1128;	Homo sapiens (Human)	1.71211	24
	P20309	Muscarinic acetylcholine receptor M3	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...	CHRM3	1131;	Homo sapiens (Human)	1.68751	25
	P31749	RAC-alpha serine/threonine-protein kinase (EC 2.7.11.1) (Protein kinase B) (PKB) (Protein ...	Protein kinase superfamily, AGC Ser/Thr protein kinase family, RAC subfamily	AKT1	207;	Homo sapiens (Human)	1.67529	26
	P30305	M-phase inducer phosphatase 2 (EC 3.1.3.48) (Dual specificity phosphatase Cdc25B)	MPI phosphatase family	CDC25B	994;	Homo sapiens (Human)	1.66526	27
	P08172	Muscarinic acetylcholine receptor M2	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...	CHRM2	1129;	Homo sapiens (Human)	1.66381	28
	P29475	Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...	NOS family	NOS1	4842;	Homo sapiens (Human)	1.62565	29
	P03372	Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...	Nuclear hormone receptor family, NR3 subfamily	ESR1	2099;	Homo sapiens (Human)	1.60807	30
	P10828	Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...	Nuclear hormone receptor family, NR1 subfamily	THRB	7068;	Homo sapiens (Human)	1.57186	31
	Q14416	Metabotropic glutamate receptor 2 (mGluR2)	G-protein coupled receptor 3 family	GRM2	2912;	Homo sapiens (Human)	1.57154	32
	P02768	Serum albumin	ALB/AFP/VDB family	ALB	213;	Homo sapiens (Human)	1.56749	33
	Q92731	Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...	Nuclear hormone receptor family, NR3 subfamily	ESR2	2100;	Homo sapiens (Human)	1.53784	34
	P00374	Dihydrofolate reductase (EC 1.5.1.3)	Dihydrofolate reductase family	DHFR	1719;	Homo sapiens (Human)	1.36859	35
	Q99705	Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...	G-protein coupled receptor 1 family	MCHR1	2847;	Homo sapiens (Human)	1.34846	36
	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)	1.34584	37
	P09874	Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...		PARP1	142;	Homo sapiens (Human)	1.32293	38
	P36544	Neuronal acetylcholine receptor subunit alpha-7	Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...	CHRNA7	1139;89832;	Homo sapiens (Human)	1.32018	39
	Q08828	Adenylate cyclase type 1 (EC 4.6.1.1) (ATP pyrophosphate-lyase 1) (Adenylate ...	Adenylyl cyclase class-4/guanylyl cyclase family	ADCY1	107;	Homo sapiens (Human)	1.29878	40
	P35228	Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...	NOS family	NOS2	4843;	Homo sapiens (Human)	1.28969	41
	P29274	Adenosine receptor A2a	G-protein coupled receptor 1 family	ADORA2A	135;	Homo sapiens (Human)	1.28836	42
	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)	1.28533	43
	P08842	Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)	Sulfatase family	STS	412;	Homo sapiens (Human)	1.28169	44
	P25105	Platelet-activating factor receptor (PAF-R) (PAFr)	G-protein coupled receptor 1 family	PTAFR	5724;	Homo sapiens (Human)	1.25966	45
	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)	1.22948	46
	Q01959	Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily	SLC6A3	6531;	Homo sapiens (Human)	1.19432	47
	P27338	Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...	Flavin monoamine oxidase family	MAOB	4129;	Homo sapiens (Human)	1.17327	48
	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)	1.12569	49
	P41594	Metabotropic glutamate receptor 5 (mGluR5)	G-protein coupled receptor 3 family	GRM5	2915;	Homo sapiens (Human)	1.07833	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
15816	2025-06-10 18:45:18	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