Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: N[C@@]([H])(C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)O Prepared SMILES: NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N)C)Cc1[nH]cnc1)CS)CCC(=O)O	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)	3.83069	1
	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)	3.81734	2
	P13866	Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A1	6523;	Homo sapiens (Human)	3.6724	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)	3.37361	4
	P00797	Renin (EC 3.4.23.15) (Angiotensinogenase)	Peptidase A1 family	REN	5972;	Homo sapiens (Human)	3.2744	5
	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)	3.21674	6
	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	3.17818	7
	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)	3.08347	8
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	3.03071	9
	P41595	5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)	G-protein coupled receptor 1 family	HTR2B	3357;	Homo sapiens (Human)	2.93312	10
	P50406	5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)	G-protein coupled receptor 1 family	HTR6	3362;	Homo sapiens (Human)	2.79704	11
	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)	2.71428	12
	P34981	Thyrotropin-releasing hormone receptor (TRH-R) (Thyroliberin receptor)	G-protein coupled receptor 1 family	TRHR	7201;	Homo sapiens (Human)	2.69897	13
	Q9Y2Q3	Glutathione S-transferase kappa 1 (EC 2.5.1.18) (GST 13-13) (GST class-kappa) ...	GST superfamily, Kappa family	GSTK1	373156;	Homo sapiens (Human)	2.69897	14
	P48039	Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)	G-protein coupled receptor 1 family	MTNR1A	4543;	Homo sapiens (Human)	2.64546	15
	Q86X55	Histone-arginine methyltransferase CARM1 (EC 2.1.1.319) (Coactivator-associated arginine methyltransferase 1) (Protein ...	Class I-like SAM-binding methyltransferase superfamily, Protein arginine N-methyltransferase family	CARM1	10498;	Homo sapiens (Human)	2.51724	16
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	2.48262	17
	Q16581	C3a anaphylatoxin chemotactic receptor (C3AR) (C3a-R)	G-protein coupled receptor 1 family	C3AR1	719;	Homo sapiens (Human)	2.46959	18
	Q13547	Histone deacetylase 1 (HD1) (EC 3.5.1.98)	Histone deacetylase family, HD type 1 subfamily	HDAC1	3065;	Homo sapiens (Human)	2.25611	19
	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)	2.17905	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)	2.13433	21
	P08473	Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...	Peptidase M13 family	MME	4311;	Homo sapiens (Human)	2.08351	22
	Q9UIQ6	Leucyl-cystinyl aminopeptidase (Cystinyl aminopeptidase) (EC 3.4.11.3) (Insulin-regulated membrane aminopeptidase) (Insulin-responsive ...	Peptidase M1 family	LNPEP	4012;	Homo sapiens (Human)	2.04963	23
	P25116	Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)	G-protein coupled receptor 1 family	F2R	2149;	Homo sapiens (Human)	1.96759	24
	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)	1.88342	25
	O60235	Transmembrane protease serine 11D (EC 3.4.21.-) (Airway trypsin-like protease) [Cleaved ...	Peptidase S1 family	TMPRSS11D	9407;	Homo sapiens (Human)	1.87732	26
	P12821	Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...	Peptidase M2 family	ACE	1636;	Homo sapiens (Human)	1.87605	27
	P32245	Melanocortin receptor 4 (MC4-R)	G-protein coupled receptor 1 family	MC4R	4160;	Homo sapiens (Human)	1.82248	28
	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)	1.78306	29
	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)	1.74067	30
	P03956	Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...	Peptidase M10A family	MMP1	4312;	Homo sapiens (Human)	1.73314	31
	P25774	Cathepsin S (EC 3.4.22.27)	Peptidase C1 family	CTSS	1520;	Homo sapiens (Human)	1.69742	32
	P08253	72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...	Peptidase M10A family	MMP2	4313;	Homo sapiens (Human)	1.68435	33
	P52732	Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...	TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamily	KIF11	3832;	Homo sapiens (Human)	1.64654	34
	P09960	Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)	Peptidase M1 family	LTA4H	4048;	Homo sapiens (Human)	1.64104	35
	Q12884	Prolyl endopeptidase FAP (EC 3.4.21.26) (170 kDa melanoma membrane-bound gelatinase) ...	Peptidase S9B family	FAP	2191;	Homo sapiens (Human)	1.6368	36
	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)	1.63129	37
	Q9H3N8	Histamine H4 receptor (H4R) (HH4R) (AXOR35) (G-protein coupled receptor 105) ...	G-protein coupled receptor 1 family	HRH4	59340;	Homo sapiens (Human)	1.60948	38
	P00734	Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...	Peptidase S1 family	F2	2147;	Homo sapiens (Human)	1.5919	39
	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)	1.57547	40
	Q9H244	P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ...	G-protein coupled receptor 1 family	P2RY12	64805;	Homo sapiens (Human)	1.55373	41
	P25103	Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)	G-protein coupled receptor 1 family	TACR1	6869;	Homo sapiens (Human)	1.54996	42
	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)	1.54448	43
	P49356	Protein farnesyltransferase subunit beta (FTase-beta) (EC 2.5.1.58) (CAAX farnesyltransferase subunit ...	Protein prenyltransferase subunit beta family	FNTB	100529261;2342;	Homo sapiens (Human)	1.54301	44
	P14416	D(2) dopamine receptor (Dopamine D2 receptor)	G-protein coupled receptor 1 family	DRD2	1813;	Homo sapiens (Human)	1.52773	45
	P07288	Prostate-specific antigen (PSA) (EC 3.4.21.77) (Gamma-seminoprotein) (Seminin) (Kallikrein-3) (P-30 antigen) ...	Peptidase S1 family, Kallikrein subfamily	KLK3	354;	Homo sapiens (Human)	1.50071	46
	P34913	Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...	AB hydrolase superfamily, Epoxide hydrolase family	EPHX2	2053;	Homo sapiens (Human)	1.49853	47
	P01213	Proenkephalin-B (Beta-neoendorphin-dynorphin) (Preprodynorphin) [Cleaved into: Alpha-neoendorphin; Beta-neoendorphin; Big dynorphin (Big ...	Opioid neuropeptide precursor family	PDYN	5173;	Homo sapiens (Human)	1.48898	48
	P43235	Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)	Peptidase C1 family	CTSK	1513;	Homo sapiens (Human)	1.48638	49
	P30411	B2 bradykinin receptor (B2R) (BK-2 receptor)	G-protein coupled receptor 1 family, Bradykinin receptor subfamily, BDKRB2 sub-subfamily	BDKRB2	624;	Homo sapiens (Human)	1.47028	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
20691	2026-02-10 08:48:22	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