Job ID(s):

Get results

Results

Download as: CSV TSV

CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
CC1CCC(C(C1)O)C(C)C

Prepared SMILES:
CC1CCC(C(C1)O)C(C)C

P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)3.395551
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)2.95812
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)2.852363
Q13258Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)G-protein coupled receptor 1 familyPTGDR5729;Homo sapiens (Human)2.687344
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.577195
P07148Fatty acid-binding protein, liver (Fatty acid-binding protein 1) (Liver-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP12168;Homo sapiens (Human)2.256696
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyPTGDR211251;Homo sapiens (Human)2.225227
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)2.215988
P00797Renin (EC 3.4.23.15) (Angiotensinogenase)Peptidase A1 familyREN5972;Homo sapiens (Human)2.208399
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)2.1772110
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)2.1311211
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)2.1259512
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)2.1065713
P78536Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ...ADAM176868;Homo sapiens (Human)2.0520814
P34995Prostaglandin E2 receptor EP1 subtype (PGE receptor EP1 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER15731;Homo sapiens (Human)1.9731915
P46092C-C chemokine receptor type 10 (C-C CKR-10) (CC-CKR-10) (CCR-10) (G-protein ...G-protein coupled receptor 1 familyCCR102826;Homo sapiens (Human)1.9570616
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.9411317
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1H49971;Homo sapiens (Human)1.8781318
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)1.8589619
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)1.7773320
Q92959Solute carrier organic anion transporter family member 2A1 (Prostaglandin transporter) ...Organo anion transporter (TC 2.A.60) familySLCO2A16578;Homo sapiens (Human)1.7683121
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)1.7186422
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.4895823
P06756Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen ...Integrin alpha chain familyITGAV3685;Homo sapiens (Human)1.4804824
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)1.4425125
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.4377726
Q9HBH1Peptide deformylase, mitochondrial (EC 3.5.1.88) (Polypeptide deformylase)Polypeptide deformylase familyPDF64146;Homo sapiens (Human)1.4077527
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.394928
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.3793529
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.3771130
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.3552731
Q7RTX7Cation channel sperm-associated protein 4 (CatSper4)Cation channel sperm-associated (TC 1.A.1.19) familyCATSPER4378807;Homo sapiens (Human)1.3406732
Q86XQ3Cation channel sperm-associated protein 3 (CatSper3) (Ca(v)-like protein) (One-repeat calcium ...Cation channel sperm-associated (TC 1.A.1.19) familyCATSPER3347732;Homo sapiens (Human)1.3406733
Q96P56Cation channel sperm-associated protein 2 (CatSper2)Cation channel sperm-associated (TC 1.A.1.19) familyCATSPER2117155;Homo sapiens (Human)1.3406734
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)1.3384135
Q8NEC5Cation channel sperm-associated protein 1 (CatSper1) (hCatSper)Cation channel sperm-associated (TC 1.A.1.19) familyCATSPER1117144;Homo sapiens (Human)1.3298336
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)1.3160837
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.312738
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.307139
Q9NPA2Matrix metalloproteinase-25 (MMP-25) (EC 3.4.24.-) (Leukolysin) (Membrane-type matrix metalloproteinase 6) ...Peptidase M10A familyMMP2564386;Homo sapiens (Human)1.3025940
Q7Z2W7Transient receptor potential cation channel subfamily M member 8 (Long ...Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM8 sub-subfamilyTRPM879054;Homo sapiens (Human)1.29256Known
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)1.2665241
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)1.2220142
P22894Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)Peptidase M10A familyMMP84317;Homo sapiens (Human)1.215843
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)1.1956644
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.1854545
P312133-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ...Steroid 5-alpha reductase familySRD5A26716;Homo sapiens (Human)1.1750746
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)1.1729747
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)1.1263348
P62942Peptidyl-prolyl cis-trans isomerase FKBP1A (PPIase FKBP1A) (EC 5.2.1.8) (12 kDa ...FKBP-type PPIase family, FKBP1 subfamilyFKBP1A2280;Homo sapiens (Human)1.1209649
O43451Maltase-glucoamylase, intestinal [Includes: Maltase (EC 3.2.1.20) (Alpha-glucosidase); Glucoamylase (EC 3.2.1.3) ...Glycosyl hydrolase 31 familyMGAM8972;Homo sapiens (Human)1.1088150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
199822026-01-09
14:33:51		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

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 344797 | Page view: 2634116

Copyright © 2019-2023 Laboratory of Molecular Modeling and Design, School of Pharmacy,
East China University of Science and Technology. All rights reserved.