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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
O=C(CCN(O)C(C(NC(C)=O)CO)=O)CCCCCCC(O)CCCC(C)C

Prepared SMILES:
OCC(C(=O)N(CCC(=O)CCCCCCC(CCCC(C)C)O)O)NC(=O)C

P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)3.962761
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)3.678742
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)3.223533
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)3.159864
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)2.981945
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)2.927676
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.85457
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)2.829828
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)2.771199
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)2.7344810
Q9Y2Q3Glutathione S-transferase kappa 1 (EC 2.5.1.18) (GST 13-13) (GST class-kappa) ...GST superfamily, Kappa familyGSTK1373156;Homo sapiens (Human)2.6511511
P56524Histone deacetylase 4 (HD4) (EC 3.5.1.98)Histone deacetylase family, HD type 2 subfamilyHDAC49759;Homo sapiens (Human)2.3796812
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)2.3286713
P03956Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...Peptidase M10A familyMMP14312;Homo sapiens (Human)2.2201714
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)2.1787815
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)2.1682116
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)2.1389317
Q9HBA0Transient receptor potential cation channel subfamily V member 4 (TrpV4) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV4 sub-subfamilyTRPV459341;Homo sapiens (Human)2.132418
P43235Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)Peptidase C1 familyCTSK1513;Homo sapiens (Human)2.1303219
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)2.0369420
P28845Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B13290;Homo sapiens (Human)2.0247121
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)2.0182922
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.9394723
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.8810324
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.8415425
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.818226
P0825372 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...Peptidase M10A familyMMP24313;Homo sapiens (Human)1.6942827
P00797Renin (EC 3.4.23.15) (Angiotensinogenase)Peptidase A1 familyREN5972;Homo sapiens (Human)1.6679128
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.6358829
O60235Transmembrane protease serine 11D (EC 3.4.21.-) (Airway trypsin-like protease) [Cleaved ...Peptidase S1 familyTMPRSS11D9407;Homo sapiens (Human)1.5999230
P07858Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ...Peptidase C1 familyCTSB1508;Homo sapiens (Human)1.5927731
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.5643432
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.5333133
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)1.5258334
P25103Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)G-protein coupled receptor 1 familyTACR16869;Homo sapiens (Human)1.5142235
P07099Epoxide hydrolase 1 (EC 3.3.2.9) (Epoxide hydratase) (Microsomal epoxide hydrolase) ...Peptidase S33 familyEPHX12052;Homo sapiens (Human)1.4936236
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)1.4819337
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyPTGDR211251;Homo sapiens (Human)1.4699638
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyMMP94318;Homo sapiens (Human)1.4639139
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)1.4410740
P22894Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)Peptidase M10A familyMMP84317;Homo sapiens (Human)1.4256341
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)1.4197242
P78536Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ...ADAM176868;Homo sapiens (Human)1.41943
P32249G-protein coupled receptor 183 (Epstein-Barr virus-induced G-protein coupled receptor 2) ...G-protein coupled receptor 1 familyGPR1831880;Homo sapiens (Human)1.4127744
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)1.387745
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)1.3813146
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.3392547
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)1.31548
P25774Cathepsin S (EC 3.4.22.27)Peptidase C1 familyCTSS1520;Homo sapiens (Human)1.3060649
P49768Presenilin-1 (PS-1) (EC 3.4.23.-) (Protein S182) [Cleaved into: Presenilin-1 NTF ...Peptidase A22A familyPSEN15663;Homo sapiens (Human)1.2934950

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
223132026-04-25
13:56:59		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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