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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O

Prepared SMILES:
OC(=O)c1cc(nc2c1c1[nH]c(cc1C(=O)C2=O)C(=O)O)C(=O)O

O43613Orexin receptor type 1 (Ox-1-R) (Ox1-R) (Ox1R) (Hypocretin receptor type ...G-protein coupled receptor 1 familyHCRTR13061;Homo sapiens (Human)3.105781
P32247Bombesin receptor subtype-3 (BRS-3)G-protein coupled receptor 1 familyBRS3680;Homo sapiens (Human)2.631562
O43614Orexin receptor type 2 (Ox-2-R) (Ox2-R) (Ox2R) (Hypocretin receptor type ...G-protein coupled receptor 1 familyHCRTR23062;Homo sapiens (Human)2.502723
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)2.370334
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)2.360955
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)2.295556
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.052977
Q9Y2K7Lysine-specific demethylase 2A (EC 1.14.11.27) (CXXC-type zinc finger protein 8) ...JHDM1 histone demethylase familyKDM2A22992;Homo sapiens (Human)1.871918
Q9H6Z9Egl nine homolog 3 (EC 1.14.11.29) (HPH-1) (Hypoxia-inducible factor prolyl ...EGLN3112399;Homo sapiens (Human)1.832399
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)1.8222210
Q96KS0Egl nine homolog 2 (EC 1.14.11.29) (Estrogen-induced tag 6) (EIT-6) ...EGLN2112398;Homo sapiens (Human)1.7599811
Q9UGL1Lysine-specific demethylase 5B (EC 1.14.11.-) (Cancer/testis antigen 31) (CT31) (Histone ...JARID1 histone demethylase familyKDM5B10765;Homo sapiens (Human)1.7371512
P41229Lysine-specific demethylase 5C (EC 1.14.11.-) (Histone demethylase JARID1C) (Jumonji/ARID domain-containing ...JARID1 histone demethylase familyKDM5C8242;Homo sapiens (Human)1.6985213
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.6888614
Q9H3R0Lysine-specific demethylase 4C (EC 1.14.11.-) (Gene amplified in squamous cell ...JHDM3 histone demethylase familyKDM4C23081;Homo sapiens (Human)1.424215
Q13304Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...G-protein coupled receptor 1 familyGPR172840;Homo sapiens (Human)1.4190516
Q05586Glutamate receptor ionotropic, NMDA 1 (GluN1) (Glutamate [NMDA] receptor subunit ...Glutamate-gated ion channel (TC 1.A.10.1) family, NR1/GRIN1 subfamilyGRIN12902;Homo sapiens (Human)1.3897417
P30556Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) ...G-protein coupled receptor 1 familyAGTR1185;Homo sapiens (Human)1.3637818
Q02127Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase)Dihydroorotate dehydrogenase family, Type 2 subfamilyDHODH1723;Homo sapiens (Human)1.3420619
O15054Lysine-specific demethylase 6B (EC 1.14.11.-) (JmjC domain-containing protein 3) (Jumonji ...UTX familyKDM6B23135;Homo sapiens (Human)1.3367620
Q9Y4C1Lysine-specific demethylase 3A (EC 1.14.11.-) (JmjC domain-containing histone demethylation protein ...JHDM2 histone demethylase familyKDM3A55818;Homo sapiens (Human)1.3339221
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.3203222
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.3083323
P35869Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ...AHR196;Homo sapiens (Human)1.2244724
Q9GZT9Egl nine homolog 1 (EC 1.14.11.29) (Hypoxia-inducible factor prolyl hydroxylase ...EGLN154583;Homo sapiens (Human)1.211125
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.1013226
P34995Prostaglandin E2 receptor EP1 subtype (PGE receptor EP1 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER15731;Homo sapiens (Human)1.0946927
P50052Type-2 angiotensin II receptor (Angiotensin II type-2 receptor) (AT2)G-protein coupled receptor 1 familyAGTR2186;Homo sapiens (Human)1.0167228
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)1.0142129
Q9HC97G-protein coupled receptor 35 (Kynurenic acid receptor) (KYNA receptor)G-protein coupled receptor 1 familyGPR352859;Homo sapiens (Human)0.99612730
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)0.94770631
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyFOLH12346;Homo sapiens (Human)0.93131532
P09874Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...PARP1142;Homo sapiens (Human)0.91620933
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.85486634
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.83740635
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.82033436
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)0.79508937
P10276Retinoic acid receptor alpha (RAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyRARA5914;Homo sapiens (Human)0.76366538
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.717539
Q8TDS4Hydroxycarboxylic acid receptor 2 (G-protein coupled receptor 109A) (G-protein coupled ...G-protein coupled receptor 1 familyHCAR2338442;Homo sapiens (Human)0.69975740
P50579Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation ...Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamilyMETAP210988;Homo sapiens (Human)0.69092241
O60674Tyrosine-protein kinase JAK2 (EC 2.7.10.2) (Janus kinase 2) (JAK-2)Protein kinase superfamily, Tyr protein kinase family, JAK subfamilyJAK23717;Homo sapiens (Human)0.67454942
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.63690643
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)0.63107944
Q6B0I6Lysine-specific demethylase 4D (EC 1.14.11.-) (JmjC domain-containing histone demethylation protein ...JHDM3 histone demethylase familyKDM4D55693;Homo sapiens (Human)0.61978945
P29375Lysine-specific demethylase 5A (EC 1.14.11.-) (Histone demethylase JARID1A) (Jumonji/ARID domain-containing ...JARID1 histone demethylase familyKDM5A5927;Homo sapiens (Human)0.61890746
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)0.6076647
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.59176448
P60568Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin)IL-2 familyIL23558;Homo sapiens (Human)0.5912349
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.58698850

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
196502025-12-05
16:05:18		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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