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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C1=C(C(=O)NC(=C1Cl)Cl)Cl

Prepared SMILES:
Clc1[nH]c(=O)c(cc1Cl)Cl

P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)4.065881
P22894Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)Peptidase M10A familyMMP84317;Homo sapiens (Human)3.981322
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)3.960563
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)3.85054
P50281Matrix metalloproteinase-14 (MMP-14) (EC 3.4.24.80) (MMP-X1) (Membrane-type matrix metalloproteinase 1) ...Peptidase M10A familyMMP144323;Homo sapiens (Human)3.047015
P39900Macrophage metalloelastase (MME) (EC 3.4.24.65) (Macrophage elastase) (ME) (hME) (Matrix ...Peptidase M10A familyMMP124321;Homo sapiens (Human)2.633646
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)2.613277
Q16478Glutamate receptor ionotropic, kainate 5 (GluK5) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK5 subfamilyGRIK52901;Homo sapiens (Human)2.267368
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)2.262429
Q12882Dihydropyrimidine dehydrogenase [NADP(+)] (DHPDHase) (DPD) (EC 1.3.1.2) (Dihydrothymine dehydrogenase) (Dihydrouracil ...Dihydropyrimidine dehydrogenase familyDPYD1806;Homo sapiens (Human)2.2557210
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)2.1148811
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)2.055612
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.016813
P42261Glutamate receptor 1 (GluR-1) (AMPA-selective glutamate receptor 1) (GluR-A) (GluR-K1) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA1 subfamilyGRIA12890;Homo sapiens (Human)2.0164314
P42262Glutamate receptor 2 (GluR-2) (AMPA-selective glutamate receptor 2) (GluR-B) (GluR-K2) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA2 subfamilyGRIA22891;Homo sapiens (Human)1.8495215
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.7892316
P04818Thymidylate synthase (TS) (TSase) (EC 2.1.1.45)Thymidylate synthase familyTYMS7298;Homo sapiens (Human)1.7334117
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyMMP94318;Homo sapiens (Human)1.6547418
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.6508419
P0825372 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...Peptidase M10A familyMMP24313;Homo sapiens (Human)1.6154620
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.5639221
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.5287822
P04183Thymidine kinase, cytosolic (EC 2.7.1.21)Thymidine kinase familyTK17083;Homo sapiens (Human)1.5186723
P15121Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1B1231;Homo sapiens (Human)1.4924824
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)1.475725
P03956Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...Peptidase M10A familyMMP14312;Homo sapiens (Human)1.4440626
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.3867627
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)1.3617828
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyP2RY149934;Homo sapiens (Human)1.3261929
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.3183730
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)1.3121631
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.2890832
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.2760633
Q15077P2Y purinoceptor 6 (P2Y6)G-protein coupled receptor 1 familyP2RY65031;Homo sapiens (Human)1.2404634
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.2398335
P11172Uridine 5'-monophosphate synthase (UMP synthase) [Includes: Orotate phosphoribosyltransferase (OPRT) (OPRTase) ...Purine/pyrimidine phosphoribosyltransferase family; OMP decarboxylase familyUMPS7372;Homo sapiens (Human)1.2072736
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.2004737
P41231P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) ...G-protein coupled receptor 1 familyP2RY25029;Homo sapiens (Human)1.1634338
Q9H3N8Histamine H4 receptor (H4R) (HH4R) (AXOR35) (G-protein coupled receptor 105) ...G-protein coupled receptor 1 familyHRH459340;Homo sapiens (Human)1.1570339
Q15910Histone-lysine N-methyltransferase EZH2 (EC 2.1.1.43) (ENX-1) (Enhancer of zeste homolog ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, EZ subfamilyEZH22146;Homo sapiens (Human)1.0989940
P29275Adenosine receptor A2bG-protein coupled receptor 1 familyADORA2B136;Homo sapiens (Human)1.0868841
O15554Intermediate conductance calcium-activated potassium channel protein 4 (SK4) (SKCa 4) ...Potassium channel KCNN family, KCa3.1/KCNN4 subfamilyKCNN43783;Homo sapiens (Human)1.0850742
P09874Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...PARP1142;Homo sapiens (Human)1.0449943
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.0048744
P48058Glutamate receptor 4 (GluR-4) (GluR4) (AMPA-selective glutamate receptor 4) (GluR-D) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA4 subfamilyGRIA42893;Homo sapiens (Human)0.98029245
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.97732346
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)0.96344547
P42263Glutamate receptor 3 (GluR-3) (AMPA-selective glutamate receptor 3) (GluR-C) (GluR-K3) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA3 subfamilyGRIA32892;Homo sapiens (Human)0.94996548
P49841Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamilyGSK3B2932;Homo sapiens (Human)0.93019549
P19971Thymidine phosphorylase (TP) (EC 2.4.2.4) (Gliostatin) (Platelet-derived endothelial cell growth ...Thymidine/pyrimidine-nucleoside phosphorylase familyTYMP1890;Homo sapiens (Human)0.92548850

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
221972026-04-22
18:26:04		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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