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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
[nH]1c(=O)[nH]c(=O)c(c1)F

Prepared SMILES:
Fc1c[nH]c(=O)[nH]c1=O

P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)2.395271
Q12882Dihydropyrimidine dehydrogenase [NADP(+)] (DHPDHase) (DPD) (EC 1.3.1.2) (Dihydrothymine dehydrogenase) (Dihydrouracil ...Dihydropyrimidine dehydrogenase familyDPYD1806;Homo sapiens (Human)2.255722
P30307M-phase inducer phosphatase 3 (EC 3.1.3.48) (Dual specificity phosphatase Cdc25C)MPI phosphatase familyCDC25C995;Homo sapiens (Human)1.823433
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)1.806534
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)1.775125
Q09472Histone acetyltransferase p300 (p300 HAT) (EC 2.3.1.48) (E1A-associated protein p300) ...EP3002033;Homo sapiens (Human)1.683956
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)1.486667
P32246C-C chemokine receptor type 1 (C-C CKR-1) (CC-CKR-1) (CCR-1) (CCR1) ...G-protein coupled receptor 1 familyCCR11230;Homo sapiens (Human)1.470258
P40225Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ...EPO/TPO familyTHPO7066;Homo sapiens (Human)1.374999
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)1.195810
Q00987E3 ubiquitin-protein ligase Mdm2 (EC 2.3.2.27) (Double minute 2 protein) ...MDM2/MDM4 familyMDM24193;Homo sapiens (Human)1.1687211
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)1.1171212
P00352Retinal dehydrogenase 1 (RALDH 1) (RalDH1) (EC 1.2.1.-) (EC 1.2.1.36) ...Aldehyde dehydrogenase familyALDH1A1216;Homo sapiens (Human)1.0803313
P26447Protein S100-A4 (Calvasculin) (Metastasin) (Placental calcium-binding protein) (Protein Mts1) (S100 ...S-100 familyS100A46275;Homo sapiens (Human)1.0107514
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)0.9978515
P30556Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) ...G-protein coupled receptor 1 familyAGTR1185;Homo sapiens (Human)0.9630116
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.96242417
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)0.92787718
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.90931519
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (EC 1.1.1.42) (Cytosolic NADP-isocitrate dehydrogenase) ...Isocitrate and isopropylmalate dehydrogenases familyIDH13417;Homo sapiens (Human)0.88513220
P19793Retinoic acid receptor RXR-alpha (Nuclear receptor subfamily 2 group B ...Nuclear hormone receptor family, NR2 subfamilyRXRA6256;Homo sapiens (Human)0.86742621
P21980Protein-glutamine gamma-glutamyltransferase 2 (EC 2.3.2.13) (Tissue transglutaminase) (Transglutaminase C) (TG(C)) ...Transglutaminase superfamily, Transglutaminase familyTGM27052;Homo sapiens (Human)0.84431622
O60760Hematopoietic prostaglandin D synthase (H-PGDS) (EC 5.3.99.2) (GST class-sigma) (Glutathione ...GST superfamily, Sigma familyHPGDS27306;Homo sapiens (Human)0.8273823
P51685C-C chemokine receptor type 8 (C-C CKR-8) (CC-CKR-8) (CCR-8) (CC ...G-protein coupled receptor 1 familyCCR81237;Homo sapiens (Human)0.77407924
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)0.77093525
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.76858126
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.7618127
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.74470628
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.71424829
Q99572P2X purinoceptor 7 (P2X7) (ATP receptor) (P2Z receptor) (Purinergic receptor)P2X receptor familyP2RX75027;Homo sapiens (Human)0.71396130
P16050Arachidonate 15-lipoxygenase (15-LOX) (15-LOX-1) (EC 1.13.11.33) (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) ...Lipoxygenase familyALOX15246;Homo sapiens (Human)0.71092431
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyEHMT210919;Homo sapiens (Human)0.69673632
B2RXH2Lysine-specific demethylase 4E (EC 1.14.11.-) (KDM4D-like protein) (Lysine-specific demethylase 4D-like)JHDM3 histone demethylase familyKDM4E390245;Homo sapiens (Human)0.69167533
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)0.68431634
Q13285Steroidogenic factor 1 (SF-1) (STF-1) (hSF-1) (Adrenal 4-binding protein) (Fushi ...Nuclear hormone receptor family, NR5 subfamilyNR5A12516;Homo sapiens (Human)0.67661635
Q9UBM77-dehydrocholesterol reductase (7-DHC reductase) (EC 1.3.1.21) (Putative sterol reductase SR-2) ...ERG4/ERG24 familyDHCR71717;Homo sapiens (Human)0.67637836
Q9UKV0Histone deacetylase 9 (HD9) (EC 3.5.1.98) (Histone deacetylase 7B) (HD7) ...Histone deacetylase family, HD type 2 subfamilyHDAC99734;Homo sapiens (Human)0.67509937
P15328Folate receptor alpha (FR-alpha) (Adult folate-binding protein) (FBP) (Folate receptor ...Folate receptor familyFOLR12348;Homo sapiens (Human)0.67437738
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)0.65194739
P35414Apelin receptor (Angiotensin receptor-like 1) (G-protein coupled receptor APJ) (G-protein ...G-protein coupled receptor 1 familyAPLNR187;Homo sapiens (Human)0.641440
P14618Pyruvate kinase PKM (EC 2.7.1.40) (Cytosolic thyroid hormone-binding protein) (CTHBP) ...Pyruvate kinase familyPKM5315;Homo sapiens (Human)0.63683241
O75604Ubiquitin carboxyl-terminal hydrolase 2 (EC 3.4.19.12) (41 kDa ubiquitin-specific protease) ...Peptidase C19 family, USP2 subfamilyUSP29099;Homo sapiens (Human)0.63680742
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)0.63552643
P19971Thymidine phosphorylase (TP) (EC 2.4.2.4) (Gliostatin) (Platelet-derived endothelial cell growth ...Thymidine/pyrimidine-nucleoside phosphorylase familyTYMP1890;Homo sapiens (Human)0.63253844
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)0.63002745
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)0.61235646
Q9UQL6Histone deacetylase 5 (HD5) (EC 3.5.1.98) (Antigen NY-CO-9)Histone deacetylase family, HD type 2 subfamilyHDAC510014;Homo sapiens (Human)0.60356847
P51151Ras-related protein Rab-9ASmall GTPase superfamily, Rab familyRAB9A9367;Homo sapiens (Human)0.59912448
P14207Folate receptor beta (FR-beta) (Folate receptor 2) (Folate receptor, fetal/placental) ...Folate receptor familyFOLR22350;Homo sapiens (Human)0.59679149
Q9NQR1N-lysine methyltransferase KMT5A (EC 2.1.1.-) (H4-K20-HMTase KMT5A) (Histone-lysine N-methyltransferase KMT5A) ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, PR/SET subfamilyKMT5A387893;Homo sapiens (Human)0.5742950
P04637Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ...P53 familyTP537157;Homo sapiens (Human)0.299998Known

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
190662025-11-17
14:36:56		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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