Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: C(CC)(CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)[C@@H](C)O)C Prepared SMILES: NCC[C@@H](C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCC(CC)C)CCN	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	3.85071	1
	P28074	Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...	Peptidase T1B family	PSMB5	5693;	Homo sapiens (Human)	2.96709	2
	P41143	Delta-type opioid receptor (D-OR-1) (DOR-1)	G-protein coupled receptor 1 family	OPRD1	4985;	Homo sapiens (Human)	2.92527	3
	Q14790	Caspase-8 (CASP-8) (EC 3.4.22.61) (Apoptotic cysteine protease) (Apoptotic protease Mch-5) ...	Peptidase C14A family	CASP8	841;	Homo sapiens (Human)	2.75327	4
	P31391	Somatostatin receptor type 4 (SS-4-R) (SS4-R) (SS4R)	G-protein coupled receptor 1 family	SSTR4	6754;	Homo sapiens (Human)	2.46702	5
	P48039	Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)	G-protein coupled receptor 1 family	MTNR1A	4543;	Homo sapiens (Human)	2.4248	6
	Q13547	Histone deacetylase 1 (HD1) (EC 3.5.1.98)	Histone deacetylase family, HD type 1 subfamily	HDAC1	3065;	Homo sapiens (Human)	2.40947	7
	O15379	Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45)	Histone deacetylase family, HD type 1 subfamily	HDAC3	8841;	Homo sapiens (Human)	2.39671	8
	P25116	Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)	G-protein coupled receptor 1 family	F2R	2149;	Homo sapiens (Human)	2.32766	9
	P43235	Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)	Peptidase C1 family	CTSK	1513;	Homo sapiens (Human)	2.2817	10
	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)	2.22947	11
	P03956	Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...	Peptidase M10A family	MMP1	4312;	Homo sapiens (Human)	2.22354	12
	P00797	Renin (EC 3.4.23.15) (Angiotensinogenase)	Peptidase A1 family	REN	5972;	Homo sapiens (Human)	2.16485	13
	P30874	Somatostatin receptor type 2 (SS-2-R) (SS2-R) (SS2R) (SRIF-1)	G-protein coupled receptor 1 family	SSTR2	6752;	Homo sapiens (Human)	2.12106	14
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	2.09097	15
	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)	2.03694	16
	P34913	Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...	AB hydrolase superfamily, Epoxide hydrolase family	EPHX2	2053;	Homo sapiens (Human)	1.96206	17
	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)	1.95165	18
	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)	1.91856	19
	Q92769	Histone deacetylase 2 (HD2) (EC 3.5.1.98)	Histone deacetylase family, HD type 1 subfamily	HDAC2	3066;	Homo sapiens (Human)	1.8438	20
	P07858	Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ...	Peptidase C1 family	CTSB	1508;	Homo sapiens (Human)	1.8058	21
	P23975	Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily	SLC6A2	6530;	Homo sapiens (Human)	1.76478	22
	P07339	Cathepsin D (EC 3.4.23.5) [Cleaved into: Cathepsin D light chain; ...	Peptidase A1 family	CTSD	1509;	Homo sapiens (Human)	1.75862	23
	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)	1.72125	24
	P00734	Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...	Peptidase S1 family	F2	2147;	Homo sapiens (Human)	1.67511	25
	Q04760	Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...	Glyoxalase I family	GLO1	2739;	Homo sapiens (Human)	1.61783	26
	P07384	Calpain-1 catalytic subunit (EC 3.4.22.52) (Calcium-activated neutral proteinase 1) (CANP ...	Peptidase C2 family	CAPN1	823;	Homo sapiens (Human)	1.54568	27
	P08253	72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...	Peptidase M10A family	MMP2	4313;	Homo sapiens (Human)	1.53312	28
	P17655	Calpain-2 catalytic subunit (EC 3.4.22.53) (Calcium-activated neutral proteinase 2) (CANP ...	Peptidase C2 family	CAPN2	824;	Homo sapiens (Human)	1.50282	29
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	1.49298	30
	Q7Z2W7	Transient receptor potential cation channel subfamily M member 8 (Long ...	Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM8 sub-subfamily	TRPM8	79054;	Homo sapiens (Human)	1.48642	31
	P45452	Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)	Peptidase M10A family	MMP13	4322;	Homo sapiens (Human)	1.48028	32
	P08311	Cathepsin G (CG) (EC 3.4.21.20)	Peptidase S1 family	CTSG	1511;	Homo sapiens (Human)	1.4651	33
	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)	1.43355	34
	P14416	D(2) dopamine receptor (Dopamine D2 receptor)	G-protein coupled receptor 1 family	DRD2	1813;	Homo sapiens (Human)	1.41809	35
	P27487	Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...	Peptidase S9B family, DPPIV subfamily	DPP4	1803;	Homo sapiens (Human)	1.4137	36
	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)	1.41078	37
	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)	1.39028	38
	P25774	Cathepsin S (EC 3.4.22.27)	Peptidase C1 family	CTSS	1520;	Homo sapiens (Human)	1.37314	39
	P41595	5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)	G-protein coupled receptor 1 family	HTR2B	3357;	Homo sapiens (Human)	1.37	40
	Q9UBN7	Histone deacetylase 6 (HD6) (EC 3.5.1.98)	Histone deacetylase family, HD type 2 subfamily	HDAC6	10013;	Homo sapiens (Human)	1.30783	41
	Q8N474	Secreted frizzled-related protein 1 (FRP-1) (sFRP-1) (Secreted apoptosis-related protein 2) ...	Secreted frizzled-related protein (sFRP) family	SFRP1	6422;	Homo sapiens (Human)	1.30103	42
	Q92847	Growth hormone secretagogue receptor type 1 (GHS-R) (GH-releasing peptide receptor) ...	G-protein coupled receptor 1 family	GHSR	2693;	Homo sapiens (Human)	1.26509	43
	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)	1.2624	44
	Q13639	5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)	G-protein coupled receptor 1 family	HTR4	3360;	Homo sapiens (Human)	1.23692	45
	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)	1.23363	46
	P56524	Histone deacetylase 4 (HD4) (EC 3.5.1.98)	Histone deacetylase family, HD type 2 subfamily	HDAC4	9759;	Homo sapiens (Human)	1.19818	47
	P14780	Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...	Peptidase M10A family	MMP9	4318;	Homo sapiens (Human)	1.18932	48
	P56703	Proto-oncogene Wnt-3 (Proto-oncogene Int-4 homolog)	Wnt family	WNT3	7473;	Homo sapiens (Human)	1.18709	49
	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)	1.18417	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
19081	2025-11-17 14:47:50	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