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])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)O)C(=O)NCC(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(C)C)C(=O)O Prepared SMILES: CC(C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CC(=O)O)CC(=O)N)CCC(=O)N)C	Q99538	Legumain (EC 3.4.22.34) (Asparaginyl endopeptidase) (Protease, cysteine 1)	Peptidase C13 family	LGMN	5641;	Homo sapiens (Human)	4.04576	1
	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)	3.55495	2
	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)	3.14874	3
	P29466	Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...	Peptidase C14A family	CASP1	834;	Homo sapiens (Human)	3.12526	4
	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	3.04128	5
	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)	2.94251	6
	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)	2.93592	7
	Q13547	Histone deacetylase 1 (HD1) (EC 3.5.1.98)	Histone deacetylase family, HD type 1 subfamily	HDAC1	3065;	Homo sapiens (Human)	2.79603	8
	P41143	Delta-type opioid receptor (D-OR-1) (DOR-1)	G-protein coupled receptor 1 family	OPRD1	4985;	Homo sapiens (Human)	2.75825	9
	P28074	Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...	Peptidase T1B family	PSMB5	5693;	Homo sapiens (Human)	2.7269	10
	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)	2.71082	11
	P06756	Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen ...	Integrin alpha chain family	ITGAV	3685;	Homo sapiens (Human)	2.69914	12
	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)	2.53764	13
	P03956	Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...	Peptidase M10A family	MMP1	4312;	Homo sapiens (Human)	2.47977	14
	Q13490	Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of ...	IAP family	BIRC2	329;	Homo sapiens (Human)	2.41003	15
	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	16
	P00734	Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...	Peptidase S1 family	F2	2147;	Homo sapiens (Human)	2.25362	17
	P56524	Histone deacetylase 4 (HD4) (EC 3.5.1.98)	Histone deacetylase family, HD type 2 subfamily	HDAC4	9759;	Homo sapiens (Human)	2.19551	18
	P62993	Growth factor receptor-bound protein 2 (Adapter protein GRB2) (Protein Ash) ...	GRB2/sem-5/DRK family	GRB2	2885;	Homo sapiens (Human)	2.19164	19
	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)	2.09291	20
	P34913	Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...	AB hydrolase superfamily, Epoxide hydrolase family	EPHX2	2053;	Homo sapiens (Human)	2.0537	21
	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	22
	Q13489	Baculoviral IAP repeat-containing protein 3 (EC 2.3.2.27) (Apoptosis inhibitor 2) ...	IAP family	BIRC3	330;	Homo sapiens (Human)	2.04224	23
	P29144	Tripeptidyl-peptidase 2 (TPP-2) (EC 3.4.14.10) (Tripeptidyl aminopeptidase) (Tripeptidyl-peptidase II) (TPP-II)	Peptidase S8 family	TPP2	7174;	Homo sapiens (Human)	2.00992	24
	P27487	Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...	Peptidase S9B family, DPPIV subfamily	DPP4	1803;	Homo sapiens (Human)	2.00772	25
	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)	1.98035	26
	P08253	72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...	Peptidase M10A family	MMP2	4313;	Homo sapiens (Human)	1.9774	27
	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)	1.95979	28
	P55210	Caspase-7 (CASP-7) (EC 3.4.22.60) (Apoptotic protease Mch-3) (CMH-1) (ICE-like apoptotic ...	Peptidase C14A family	CASP7	840;	Homo sapiens (Human)	1.90352	29
	P48039	Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)	G-protein coupled receptor 1 family	MTNR1A	4543;	Homo sapiens (Human)	1.89705	30
	P07099	Epoxide hydrolase 1 (EC 3.3.2.9) (Epoxide hydratase) (Microsomal epoxide hydrolase) ...	Peptidase S33 family	EPHX1	2052;	Homo sapiens (Human)	1.80347	31
	Q8IU80	Transmembrane protease serine 6 (EC 3.4.21.-) (Matriptase-2)	Peptidase S1 family	TMPRSS6	164656;	Homo sapiens (Human)	1.78319	32
	P00918	Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA2	760;	Homo sapiens (Human)	1.77415	33
	Q9Y5Z0	Beta-secretase 2 (EC 3.4.23.45) (Aspartic-like protease 56 kDa) (Aspartyl protease ...	Peptidase A1 family	BACE2	25825;	Homo sapiens (Human)	1.77183	34
	P98170	E3 ubiquitin-protein ligase XIAP (EC 2.3.2.27) (Baculoviral IAP repeat-containing protein ...	IAP family	XIAP	331;	Homo sapiens (Human)	1.76642	35
	P15144	Aminopeptidase N (AP-N) (hAPN) (EC 3.4.11.2) (Alanyl aminopeptidase) (Aminopeptidase M) ...	Peptidase M1 family	ANPEP	290;	Homo sapiens (Human)	1.75802	36
	P42574	Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ...	Peptidase C14A family	CASP3	836;	Homo sapiens (Human)	1.7498	37
	Q8TDS5	Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...	G-protein coupled receptor 1 family	OXER1	165140;	Homo sapiens (Human)	1.65862	38
	P08473	Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...	Peptidase M13 family	MME	4311;	Homo sapiens (Human)	1.65796	39
	P00374	Dihydrofolate reductase (EC 1.5.1.3)	Dihydrofolate reductase family	DHFR	1719;	Homo sapiens (Human)	1.6515	40
	P25774	Cathepsin S (EC 3.4.22.27)	Peptidase C1 family	CTSS	1520;	Homo sapiens (Human)	1.64735	41
	P14780	Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...	Peptidase M10A family	MMP9	4318;	Homo sapiens (Human)	1.64612	42
	P07384	Calpain-1 catalytic subunit (EC 3.4.22.52) (Calcium-activated neutral proteinase 1) (CANP ...	Peptidase C2 family	CAPN1	823;	Homo sapiens (Human)	1.62769	43
	Q16581	C3a anaphylatoxin chemotactic receptor (C3AR) (C3a-R)	G-protein coupled receptor 1 family	C3AR1	719;	Homo sapiens (Human)	1.627	44
	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)	1.56331	45
	P43235	Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)	Peptidase C1 family	CTSK	1513;	Homo sapiens (Human)	1.53025	46
	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)	1.45624	47
	P42263	Glutamate receptor 3 (GluR-3) (AMPA-selective glutamate receptor 3) (GluR-C) (GluR-K3) ...	Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA3 subfamily	GRIA3	2892;	Homo sapiens (Human)	1.44078	48
	Q16790	Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA9	768;	Homo sapiens (Human)	1.44044	49
	Q9Y3Q0	N-acetylated-alpha-linked acidic dipeptidase 2 (EC 3.4.17.21) (Glutamate carboxypeptidase III) (GCPIII) ...	Peptidase M28 family, M28B subfamily	NAALAD2	10003;	Homo sapiens (Human)	1.43026	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
16207	2025-07-25 12:28:05	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