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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
N[C@@]([H])(CS)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CCCCN)C(=O)N1[C@@]([H])(CCC1)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

Prepared SMILES:
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)N)CC(=O)O)CS

P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)3.613441
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)3.545042
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A16523;Homo sapiens (Human)3.472763
P07477Trypsin-1 (EC 3.4.21.4) (Beta-trypsin) (Cationic trypsinogen) (Serine protease 1) (Trypsin ...Peptidase S1 familyPRSS15644;Homo sapiens (Human)3.127594
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)3.015425
Q14790Caspase-8 (CASP-8) (EC 3.4.22.61) (Apoptotic cysteine protease) (Apoptotic protease Mch-5) ...Peptidase C14A familyCASP8841;Homo sapiens (Human)2.942516
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)2.710827
P06756Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen ...Integrin alpha chain familyITGAV3685;Homo sapiens (Human)2.699148
Q9Y2Q3Glutathione S-transferase kappa 1 (EC 2.5.1.18) (GST 13-13) (GST class-kappa) ...GST superfamily, Kappa familyGSTK1373156;Homo sapiens (Human)2.698979
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)2.6902610
P32239Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)G-protein coupled receptor 1 familyCCKBR887;Homo sapiens (Human)2.6590311
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)2.5895412
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)2.5613
Q16581C3a anaphylatoxin chemotactic receptor (C3AR) (C3a-R)G-protein coupled receptor 1 familyC3AR1719;Homo sapiens (Human)2.4695914
O60235Transmembrane protease serine 11D (EC 3.4.21.-) (Airway trypsin-like protease) [Cleaved ...Peptidase S1 familyTMPRSS11D9407;Homo sapiens (Human)2.4480515
O94760N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (DDAH-1) (Dimethylarginine dimethylaminohydrolase 1) (EC 3.5.3.18) (DDAHI) ...DDAH familyDDAH123576;Homo sapiens (Human)2.3666616
P03956Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...Peptidase M10A familyMMP14312;Homo sapiens (Human)2.325317
P01213Proenkephalin-B (Beta-neoendorphin-dynorphin) (Preprodynorphin) [Cleaved into: Alpha-neoendorphin; Beta-neoendorphin; Big dynorphin (Big ...Opioid neuropeptide precursor familyPDYN5173;Homo sapiens (Human)2.3123818
P49356Protein farnesyltransferase subunit beta (FTase-beta) (EC 2.5.1.58) (CAAX farnesyltransferase subunit ...Protein prenyltransferase subunit beta familyFNTB100529261;2342;Homo sapiens (Human)2.227419
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)2.1946120
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.1071821
P0825372 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...Peptidase M10A familyMMP24313;Homo sapiens (Human)2.03422
Q9GZQ6Neuropeptide FF receptor 1 (G-protein coupled receptor 147) (RFamide-related peptide ...G-protein coupled receptor 1 familyNPFFR164106;Homo sapiens (Human)2.0246223
P08473Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...Peptidase M13 familyMME4311;Homo sapiens (Human)1.9539424
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyDHFR1719;Homo sapiens (Human)1.9276325
P22894Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)Peptidase M10A familyMMP84317;Homo sapiens (Human)1.8907726
Q15661Tryptase alpha/beta-1 (Tryptase-1) (EC 3.4.21.59) (Tryptase I) (Tryptase alpha-1)Peptidase S1 family, Tryptase subfamilyTPSAB17177;Homo sapiens (Human)1.8702727
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.8401728
Q13490Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of ...IAP familyBIRC2329;Homo sapiens (Human)1.8017129
Q9Y5X5Neuropeptide FF receptor 2 (G-protein coupled receptor 74) (G-protein coupled ...G-protein coupled receptor 1 familyNPFFR210886;Homo sapiens (Human)1.748830
P25116Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)G-protein coupled receptor 1 familyF2R2149;Homo sapiens (Human)1.72531
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyMMP94318;Homo sapiens (Human)1.675332
P25101Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamilyEDNRA1909;Homo sapiens (Human)1.6672133
P07288Prostate-specific antigen (PSA) (EC 3.4.21.77) (Gamma-seminoprotein) (Seminin) (Kallikrein-3) (P-30 antigen) ...Peptidase S1 family, Kallikrein subfamilyKLK3354;Homo sapiens (Human)1.6569334
P42574Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ...Peptidase C14A familyCASP3836;Homo sapiens (Human)1.6229335
P27487Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...Peptidase S9B family, DPPIV subfamilyDPP41803;Homo sapiens (Human)1.6133136
Q9Y2I1Nischarin (Imidazoline receptor 1) (I-1) (IR1) (Imidazoline receptor antisera-selected protein) ...NISCH11188;Homo sapiens (Human)1.6104437
P55210Caspase-7 (CASP-7) (EC 3.4.22.60) (Apoptotic protease Mch-3) (CMH-1) (ICE-like apoptotic ...Peptidase C14A familyCASP7840;Homo sapiens (Human)1.5242138
Q13489Baculoviral IAP repeat-containing protein 3 (EC 2.3.2.27) (Apoptosis inhibitor 2) ...IAP familyBIRC3330;Homo sapiens (Human)1.5214839
P30419Glycylpeptide N-tetradecanoyltransferase 1 (EC 2.3.1.97) (Myristoyl-CoA:protein N-myristoyltransferase 1) (NMT 1) ...NMT familyNMT14836;Homo sapiens (Human)1.4847340
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)1.4703741
Q9UIQ6Leucyl-cystinyl aminopeptidase (Cystinyl aminopeptidase) (EC 3.4.11.3) (Insulin-regulated membrane aminopeptidase) (Insulin-responsive ...Peptidase M1 familyLNPEP4012;Homo sapiens (Human)1.4483442
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyF102159;Homo sapiens (Human)1.4350343
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.4303544
P00797Renin (EC 3.4.23.15) (Angiotensinogenase)Peptidase A1 familyREN5972;Homo sapiens (Human)1.427345
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.4229946
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.3930147
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.3681348
P25103Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)G-protein coupled receptor 1 familyTACR16869;Homo sapiens (Human)1.3668349
P98170E3 ubiquitin-protein ligase XIAP (EC 2.3.2.27) (Baculoviral IAP repeat-containing protein ...IAP familyXIAP331;Homo sapiens (Human)1.3481550

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
206922026-02-10
08:51:35		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50Download

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