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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C

Prepared SMILES:
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C

P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)4.322721
P80365Corticosteroid 11-beta-dehydrogenase isozyme 2 (EC 1.1.1.-) (11-beta-hydroxysteroid dehydrogenase type 2) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B23291;Homo sapiens (Human)3.327652
Q01469Fatty acid-binding protein 5 (Epidermal-type fatty acid-binding protein) (E-FABP) (Fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP52171;Homo sapiens (Human)3.239583
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)3.146644
Q9Y271Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ...G-protein coupled receptor 1 familyCYSLTR110800;Homo sapiens (Human)2.82975
P28702Retinoic acid receptor RXR-beta (Nuclear receptor subfamily 2 group B ...Nuclear hormone receptor family, NR2 subfamilyRXRB6257;Homo sapiens (Human)2.602246
P48443Retinoic acid receptor RXR-gamma (Nuclear receptor subfamily 2 group B ...Nuclear hormone receptor family, NR2 subfamilyRXRG6258;Homo sapiens (Human)2.593077
P50052Type-2 angiotensin II receptor (Angiotensin II type-2 receptor) (AT2)G-protein coupled receptor 1 familyAGTR2186;Homo sapiens (Human)2.453428
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)2.307429
P51160Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' (EC 3.1.4.35) (cGMP phosphodiesterase ...Cyclic nucleotide phosphodiesterase familyPDE6C5146;Homo sapiens (Human)2.2878710
P19793Retinoic acid receptor RXR-alpha (Nuclear receptor subfamily 2 group B ...Nuclear hormone receptor family, NR2 subfamilyRXRA6256;Homo sapiens (Human)2.1488611
P02753Retinol-binding protein 4 (Plasma retinol-binding protein) (PRBP) (RBP) [Cleaved into: ...Calycin superfamily, Lipocalin familyRBP45950;Homo sapiens (Human)2.1423512
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)2.0499413
P04062Lysosomal acid glucosylceramidase (Lysosomal acid GCase) (EC 3.2.1.45) (Acid beta-glucosidase) ...Glycosyl hydrolase 30 familyGBA2629;Homo sapiens (Human)1.9835914
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)1.8301815
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)1.8003616
P10145Interleukin-8 (IL-8) (C-X-C motif chemokine 8) (Chemokine (C-X-C motif) ligand ...Intercrine alpha (chemokine CxC) familyCXCL83576;Homo sapiens (Human)1.7715517
P13631Retinoic acid receptor gamma (RAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyRARG5916;Homo sapiens (Human)1.7307118
P10826Retinoic acid receptor beta (RAR-beta) (HBV-activated protein) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyRARB5915;Homo sapiens (Human)1.7077219
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.6687120
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)1.598821
P30556Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) ...G-protein coupled receptor 1 familyAGTR1185;Homo sapiens (Human)1.5366922
O43174Cytochrome P450 26A1 (EC 1.14.13.-) (Cytochrome P450 retinoic acid-inactivating 1) ...Cytochrome P450 familyCYP26A11592;Homo sapiens (Human)1.5195523
P10276Retinoic acid receptor alpha (RAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyRARA5914;Homo sapiens (Human)1.4719324
Q9HC97G-protein coupled receptor 35 (Kynurenic acid receptor) (KYNA receptor)G-protein coupled receptor 1 familyGPR352859;Homo sapiens (Human)1.4453925
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)1.4284826
O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)1.3021627
Q9NZ45CDGSH iron-sulfur domain-containing protein 1 (MitoNEET)CISD protein familyCISD155847;Homo sapiens (Human)1.2979528
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)1.2962729
P24723Protein kinase C eta type (EC 2.7.11.13) (PKC-L) (nPKC-eta)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCH5583;Homo sapiens (Human)1.2694630
O95718Steroid hormone receptor ERR2 (ERR beta-2) (Estrogen receptor-like 2) (Estrogen-related ...Nuclear hormone receptor family, NR3 subfamilyESRRB2103;Homo sapiens (Human)1.255831
P01375Tumor necrosis factor (Cachectin) (TNF-alpha) (Tumor necrosis factor ligand superfamily ...Tumor necrosis factor familyTNF7124;Homo sapiens (Human)1.2553632
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.2434933
P33527Multidrug resistance-associated protein 1 (ATP-binding cassette sub-family C member 1) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC14363;Homo sapiens (Human)1.2358634
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familySLCO1B110599;Homo sapiens (Human)1.17408Known
P15090Fatty acid-binding protein, adipocyte (Adipocyte lipid-binding protein) (ALBP) (Adipocyte-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP42167;Homo sapiens (Human)1.1660635
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)1.1495336
P27169Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ...Paraoxonase familyPON15444;Homo sapiens (Human)1.1492437
P05023Sodium/potassium-transporting ATPase subunit alpha-1 (Na(+)/K(+) ATPase alpha-1 subunit) (EC 7.2.2.13) ...Cation transport ATPase (P-type) (TC 3.A.3) family, Type IIC subfamilyATP1A1476;Homo sapiens (Human)1.0671938
O15440Multidrug resistance-associated protein 5 (ATP-binding cassette sub-family C member 5) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC510057;Homo sapiens (Human)1.0648539
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)1.0403440
P35398Nuclear receptor ROR-alpha (Nuclear receptor RZR-alpha) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORA6095;Homo sapiens (Human)0.98301341
Q15788Nuclear receptor coactivator 1 (NCoA-1) (EC 2.3.1.48) (Class E basic ...SRC/p160 nuclear receptor coactivator familyNCOA18648;Homo sapiens (Human)0.96023242
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)0.95964243
P20815Cytochrome P450 3A5 (EC 1.14.14.1) (CYPIIIA5) (Cytochrome P450 HLp2) (Cytochrome ...Cytochrome P450 familyCYP3A51577;Homo sapiens (Human)0.94552544
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)0.93999345
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)Sulfatase familySTS412;Homo sapiens (Human)0.9248546
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)0.85826547
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.85582848
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...HIF1A3091;Homo sapiens (Human)0.83185649
P17252Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCA5578;Homo sapiens (Human)0.82958350
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)0.81928151
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)0.80824152
P19838Nuclear factor NF-kappa-B p105 subunit (DNA-binding factor KBF1) (EBP-1) (Nuclear ...NFKB14790;Homo sapiens (Human)0.80749153
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)0.80391354
P49327Fatty acid synthase (EC 2.3.1.85) [Includes: [Acyl-carrier-protein] S-acetyltransferase (EC 2.3.1.38); ...FASN2194;Homo sapiens (Human)0.79826155
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.78433156
P51589Cytochrome P450 2J2 (EC 1.14.14.-) (Albendazole monooxygenase (hydroxylating)) (EC 1.14.14.74) ...Cytochrome P450 familyCYP2J21573;Homo sapiens (Human)0.75218757
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.73481858
P23415Glycine receptor subunit alpha-1 (Glycine receptor 48 kDa subunit) (Glycine ...Ligand-gated ion channel (TC 1.A.9) family, Glycine receptor (TC 1.A.9.3) ...GLRA12741;Homo sapiens (Human)0.72918559
P28482Mitogen-activated protein kinase 1 (MAP kinase 1) (MAPK 1) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK15594;Homo sapiens (Human)0.72521560
O75469Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1I28856;Homo sapiens (Human)0.69857361
Q9Y5X4Photoreceptor-specific nuclear receptor (Nuclear receptor subfamily 2 group E member ...Nuclear hormone receptor family, NR2 subfamilyNR2E310002;Homo sapiens (Human)0.69257262
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)0.65504863
Q92753Nuclear receptor ROR-beta (Nuclear receptor RZR-beta) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORBHomo sapiens (Human)0.65473264
P00338L-lactate dehydrogenase A chain (LDH-A) (EC 1.1.1.27) (Cell proliferation-inducing gene ...LDH/MDH superfamily, LDH familyLDHA3939;Homo sapiens (Human)0.63781465
Q9NPD5Solute carrier organic anion transporter family member 1B3 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familySLCO1B328234;Homo sapiens (Human)0.632868Known
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)0.62019266
P37288Vasopressin V1a receptor (V1aR) (AVPR V1a) (Antidiuretic hormone receptor 1a) ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyAVPR1A552;Homo sapiens (Human)0.60538667
P02774Vitamin D-binding protein (DBP) (VDB) (Gc protein-derived macrophage activating factor) ...ALB/AFP/VDB familyGC2638;Homo sapiens (Human)0.59940868
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)0.58175469
Q99788Chemokine-like receptor 1 (G-protein coupled receptor ChemR23) (G-protein coupled receptor ...G-protein coupled receptor 1 familyCMKLR11240;Homo sapiens (Human)0.58123970
Q079731,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (24-OHase) (Vitamin D(3) 24-hydroxylase) (EC 1.14.15.16) ...Cytochrome P450 familyCYP24A11591;Homo sapiens (Human)0.57829571
P02766Transthyretin (ATTR) (Prealbumin) (TBPA)Transthyretin familyTTR7276;Homo sapiens (Human)0.57544772
P24557Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1)Cytochrome P450 familyTBXAS16916;Homo sapiens (Human)0.5739973
P08684Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...Cytochrome P450 familyCYP3A41576;Homo sapiens (Human)0.56868474
O15439Multidrug resistance-associated protein 4 (ATP-binding cassette sub-family C member 4) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC410257;Homo sapiens (Human)0.55501375
Q15393Splicing factor 3B subunit 3 (Pre-mRNA-splicing factor SF3b 130 kDa ...RSE1 familySF3B323450;Homo sapiens (Human)0.55455976
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyTSHR7253;Homo sapiens (Human)0.52947877
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familySERPINA6866;Homo sapiens (Human)0.52737978
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)0.52064379
O60218Aldo-keto reductase family 1 member B10 (EC 1.1.1.300) (EC 1.1.1.54) ...Aldo/keto reductase familyAKR1B1057016;Homo sapiens (Human)0.51245680
Q14973Sodium/bile acid cotransporter (Cell growth-inhibiting gene 29 protein) (Na(+)/bile acid ...Bile acid:sodium symporter (BASS) (TC 2.A.28) familySLC10A16554;Homo sapiens (Human)0.51090881
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)0.51073182
Q9Y6Q9Nuclear receptor coactivator 3 (NCoA-3) (EC 2.3.1.48) (ACTR) (Amplified in ...SRC/p160 nuclear receptor coactivator familyNCOA38202;Homo sapiens (Human)0.4959183
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)0.48501784
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.4800585
Q15904V-type proton ATPase subunit S1 (V-ATPase subunit S1) (Protein XAP-3) ...Vacuolar ATPase subunit S1 familyATP6AP1537;Homo sapiens (Human)0.47990686
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.4781387
P46063ATP-dependent DNA helicase Q1 (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyRECQL5965;Homo sapiens (Human)0.47380688
Q06278Aldehyde oxidase (EC 1.2.3.1) (Aldehyde oxidase 1) (Azaheterocycle hydroxylase) (EC ...Xanthine dehydrogenase familyAOX1316;Homo sapiens (Human)0.47037489
P04054Phospholipase A2 (EC 3.1.1.4) (Group IB phospholipase A2) (Phosphatidylcholine 2-acylhydrolase ...Phospholipase A2 familyPLA2G1B5319;Homo sapiens (Human)0.46981190
P29372DNA-3-methyladenine glycosylase (EC 3.2.2.21) (3-alkyladenine DNA glycosylase) (3-methyladenine DNA glycosidase) ...DNA glycosylase MPG familyMPG4350;Homo sapiens (Human)0.46355491
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)0.46132492
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)0.45835193
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)0.45220394
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.45183295
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.45011196
Q9UNA4DNA polymerase iota (EC 2.7.7.7) (Eta2) (RAD30 homolog B)DNA polymerase type-Y familyPOLI11201;Homo sapiens (Human)0.44932797
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.4461798
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)0.44436199
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyPTGDR211251;Homo sapiens (Human)0.435889100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
186472025-10-21
18:51:32		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 100Download

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