Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: [H]c1c([H])c([H])c(C([H])([H])[C@]2([H])C(=O)N3[C@@]4([H])N([H])c5c([H])c([H])c([H])c([H])c5[C@@]4(c4c([H])c([H])c([H])c5c(C([H])([H])[C@]6([H])C(=O)N([H])[C@]([H])(C([H])([H])c7c([H])c([H])c([H])c([H])c7[H])C(=O)N6[H])c([H])n([H])c45)C([H])([H])[C@@]3([H])C(=O)N2[H])c([H])c1[H] Prepared SMILES: O=C1N[C@H](Cc2ccccc2)C(=O)N[C@@H]1Cc1c[nH]c2c1cccc2[C@]12C[C@@H]3N([C@H]1Nc1c2cccc1)C(=O)[C@H](NC3=O)Cc1ccccc1	P00734	Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...	Peptidase S1 family	F2	2147;	Homo sapiens (Human)	3.84752	1
	P41595	5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)	G-protein coupled receptor 1 family	HTR2B	3357;	Homo sapiens (Human)	3.67108	2
	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	3.49278	3
	P08908	5-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)	G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamily	HTR1A	3350;	Homo sapiens (Human)	3.4704	4
	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)	3.3189	5
	P48039	Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)	G-protein coupled receptor 1 family	MTNR1A	4543;	Homo sapiens (Human)	3.22421	6
	P27487	Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...	Peptidase S9B family, DPPIV subfamily	DPP4	1803;	Homo sapiens (Human)	3.07118	7
	P14416	D(2) dopamine receptor (Dopamine D2 receptor)	G-protein coupled receptor 1 family	DRD2	1813;	Homo sapiens (Human)	3.05121	8
	P50406	5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)	G-protein coupled receptor 1 family	HTR6	3362;	Homo sapiens (Human)	3.01278	9
	P25103	Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)	G-protein coupled receptor 1 family	TACR1	6869;	Homo sapiens (Human)	2.9455	10
	Q13547	Histone deacetylase 1 (HD1) (EC 3.5.1.98)	Histone deacetylase family, HD type 1 subfamily	HDAC1	3065;	Homo sapiens (Human)	2.88433	11
	P28221	5-hydroxytryptamine receptor 1D (5-HT-1D) (5-HT1D) (Serotonin 1D alpha receptor) (5-HT-1D-alpha) ...	G-protein coupled receptor 1 family	HTR1D	3352;	Homo sapiens (Human)	2.84335	12
	P35462	D(3) dopamine receptor (Dopamine D3 receptor)	G-protein coupled receptor 1 family	DRD3	1814;	Homo sapiens (Human)	2.78929	13
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	2.72485	14
	P08253	72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...	Peptidase M10A family	MMP2	4313;	Homo sapiens (Human)	2.62553	15
	P32239	Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)	G-protein coupled receptor 1 family	CCKBR	887;	Homo sapiens (Human)	2.5235	16
	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)	2.24326	17
	P03956	Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...	Peptidase M10A family	MMP1	4312;	Homo sapiens (Human)	2.23062	18
	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)	2.21363	19
	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)	2.20035	20
	P08254	Stromelysin-1 (SL-1) (EC 3.4.24.17) (Matrix metalloproteinase-3) (MMP-3) (Transin-1)	Peptidase M10A family	MMP3	4314;	Homo sapiens (Human)	2.11217	21
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	2.07193	22
	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)	2.06011	23
	P06756	Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen ...	Integrin alpha chain family	ITGAV	3685;	Homo sapiens (Human)	2.00616	24
	P22894	Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)	Peptidase M10A family	MMP8	4317;	Homo sapiens (Human)	1.96174	25
	P00918	Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA2	760;	Homo sapiens (Human)	1.94752	26
	P21917	D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)	G-protein coupled receptor 1 family	DRD4	1815;	Homo sapiens (Human)	1.91692	27
	P00797	Renin (EC 3.4.23.15) (Angiotensinogenase)	Peptidase A1 family	REN	5972;	Homo sapiens (Human)	1.8912	28
	P08913	Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) ...	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamily	ADRA2A	150;	Homo sapiens (Human)	1.88711	29
	P61073	C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...	G-protein coupled receptor 1 family	CXCR4	7852;	Homo sapiens (Human)	1.86693	30
	P07477	Trypsin-1 (EC 3.4.21.4) (Beta-trypsin) (Cationic trypsinogen) (Serine protease 1) (Trypsin ...	Peptidase S1 family	PRSS1	5644;	Homo sapiens (Human)	1.80456	31
	P14780	Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...	Peptidase M10A family	MMP9	4318;	Homo sapiens (Human)	1.74461	32
	P30939	5-hydroxytryptamine receptor 1F (5-HT-1F) (5-HT1F) (Serotonin receptor 1F)	G-protein coupled receptor 1 family	HTR1F	3355;	Homo sapiens (Human)	1.73567	33
	P09237	Matrilysin (EC 3.4.24.23) (Matrin) (Matrix metalloproteinase-7) (MMP-7) (Pump-1 protease) (Uterine ...	Peptidase M10A family	MMP7	4316;	Homo sapiens (Human)	1.70986	34
	P28074	Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...	Peptidase T1B family	PSMB5	5693;	Homo sapiens (Human)	1.69066	35
	P34969	5-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)	G-protein coupled receptor 1 family	HTR7	3363;	Homo sapiens (Human)	1.62825	36
	P25101	Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)	G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamily	EDNRA	1909;	Homo sapiens (Human)	1.60275	37
	P18089	Alpha-2B adrenergic receptor (Alpha-2 adrenergic receptor subtype C2) (Alpha-2B adrenoreceptor) ...	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2B sub-subfamily	ADRA2B	151;	Homo sapiens (Human)	1.59911	38
	P56524	Histone deacetylase 4 (HD4) (EC 3.5.1.98)	Histone deacetylase family, HD type 2 subfamily	HDAC4	9759;	Homo sapiens (Human)	1.54257	39
	P43166	Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA7	766;	Homo sapiens (Human)	1.53862	40
	O43570	Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA12	771;	Homo sapiens (Human)	1.53597	41
	Q92847	Growth hormone secretagogue receptor type 1 (GHS-R) (GH-releasing peptide receptor) ...	G-protein coupled receptor 1 family	GHSR	2693;	Homo sapiens (Human)	1.53053	42
	P14625	Endoplasmin (94 kDa glucose-regulated protein) (GRP-94) (Heat shock protein 90 ...	Heat shock protein 90 family	HSP90B1	7184;	Homo sapiens (Human)	1.51723	43
	P09874	Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...		PARP1	142;	Homo sapiens (Human)	1.51316	44
	P12931	Proto-oncogene tyrosine-protein kinase Src (EC 2.7.10.2) (Proto-oncogene c-Src) (pp60c-src) (p60-Src)	Protein kinase superfamily, Tyr protein kinase family, SRC subfamily	SRC	6714;	Homo sapiens (Human)	1.51073	45
	P35968	Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...	Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily	KDR	3791;	Homo sapiens (Human)	1.51014	46
	P03372	Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...	Nuclear hormone receptor family, NR3 subfamily	ESR1	2099;	Homo sapiens (Human)	1.47615	47
	P23141	Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...	Type-B carboxylesterase/lipase family	CES1	1066;	Homo sapiens (Human)	1.45001	48
	P45452	Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)	Peptidase M10A family	MMP13	4322;	Homo sapiens (Human)	1.44834	49
	P18825	Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamily	ADRA2C	152;	Homo sapiens (Human)	1.43796	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
24863	2026-09-03 09:47:37	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