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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
N12[C@H]([C@@](S(=O)(=O)[C@@H]1CC2=O)(Cn1nncc1)C)C(=O)O

Prepared SMILES:
OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1

P12821Angiotensin-converting enzyme (ACE) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) (Kininase II) ...Peptidase M2 familyP128211636Homo sapiens (Human)0.001190481
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyQ046092346Homo sapiens (Human)0.0009720332
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.0008922833
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyQ136393360Homo sapiens (Human)0.0007977464
P41968Melanocortin receptor 3 (MC3-R)G-protein coupled receptor 1 familyP419684159Homo sapiens (Human)0.0005396115
Q01726Melanocyte-stimulating hormone receptor (MSH-R) (Melanocortin receptor 1) (MC1-R)G-protein coupled receptor 1 familyQ017264157Homo sapiens (Human)0.0005035496
Q9UIF9Bromodomain adjacent to zinc finger domain protein 2A (Transcription termination ...WAL familyQ9UIF911176Homo sapiens (Human)0.0004156637
P33032Melanocortin receptor 5 (MC5-R) (MC-2)G-protein coupled receptor 1 familyP330324161Homo sapiens (Human)0.0003946518
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyP096195159Homo sapiens (Human)0.0003761969
P17948Vascular endothelial growth factor receptor 1 (VEGFR-1) (EC 2.7.10.1) (Fms-like ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyP179482321Homo sapiens (Human)0.00035682510
Q9H6Z9Prolyl hydroxylase EGLN3 (EC 1.14.11.-) (Egl nine homolog 3) (EC ...Q9H6Z9112399Homo sapiens (Human)0.00034699211
P32245Melanocortin receptor 4 (MC4-R)G-protein coupled receptor 1 familyP322454160Homo sapiens (Human)0.00034590612
Q96KS0Prolyl hydroxylase EGLN2 (EC 1.14.11.-) (Egl nine homolog 2) (EC ...Q96KS0112398Homo sapiens (Human)0.0003447613
Q07817Bcl-2-like protein 1 (Bcl2-L-1) (Apoptosis regulator Bcl-X)Bcl-2 familyQ07817598Homo sapiens (Human)0.00034140814
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00033570815
Q9Y2R2Tyrosine-protein phosphatase non-receptor type 22 (EC 3.1.3.48) (Hematopoietic cell protein-tyrosine ...Protein-tyrosine phosphatase family, Non-receptor class 4 subfamilyQ9Y2R226191Homo sapiens (Human)0.00033147216
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyP359683791Homo sapiens (Human)0.00031180917
O43614Orexin receptor type 2 (Ox-2-R) (Ox2-R) (Ox2R) (Hypocretin receptor type ...G-protein coupled receptor 1 familyO436143062Homo sapiens (Human)0.00030246518
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.00029782919
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyP005331956Homo sapiens (Human)0.00029782820
O43613Orexin/Hypocretin receptor type 1 (Hypocretin receptor type 1) (Orexin receptor ...G-protein coupled receptor 1 familyO436133061Homo sapiens (Human)0.00029350321
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00029224922
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.00029135423
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00028688324
P10415Apoptosis regulator Bcl-2Bcl-2 familyP10415596Homo sapiens (Human)0.00028215125
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00027903526
P15289Arylsulfatase A (ASA) (EC 3.1.6.8) (Cerebroside-sulfatase) [Cleaved into: Arylsulfatase A ...Sulfatase familyP15289410Homo sapiens (Human)0.00026907527
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.367) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyQ96KQ710919Homo sapiens (Human)0.00026617128
P2884511-beta-hydroxysteroid dehydrogenase 1 (11-DH) (11-beta-HSD1) (EC 1.1.1.146) (7-oxosteroid reductase) (EC ...Short-chain dehydrogenases/reductases (SDR) familyP288453290Homo sapiens (Human)0.00026456129
Q9GZT9Egl nine homolog 1 (EC 1.14.11.29) (Hypoxia-inducible factor prolyl hydroxylase ...Q9GZT954583Homo sapiens (Human)0.00025827830
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyP29274135Homo sapiens (Human)0.00023834731
P30542Adenosine receptor A1G-protein coupled receptor 1 familyP30542134Homo sapiens (Human)0.00023558632
Q14416Metabotropic glutamate receptor 2 (mGluR2)G-protein coupled receptor 3 familyQ144162912Homo sapiens (Human)0.00022963833
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ...Amidase familyO005192166Homo sapiens (Human)0.00022930734
Q96IY4Carboxypeptidase B2 (EC 3.4.17.20) (Carboxypeptidase U) (CPU) (Plasma carboxypeptidase B) ...Peptidase M14 familyQ96IY41361Homo sapiens (Human)0.00022686735
Q8TDU6G-protein coupled bile acid receptor 1 (G-protein coupled receptor GPCR19) ...G-protein coupled receptor 1 familyQ8TDU6151306Homo sapiens (Human)0.00022577236
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyP007342147Homo sapiens (Human)0.00022400337
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyQ9Y5Y411251Homo sapiens (Human)0.00020700638
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...P042786462Homo sapiens (Human)0.00020427139
Q8TDS4Hydroxycarboxylic acid receptor 2 (G-protein coupled receptor 109A) (G-protein coupled ...G-protein coupled receptor 1 familyQ8TDS4338442Homo sapiens (Human)0.00019004840
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00018794841
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyP397482237Homo sapiens (Human)0.00018589542
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00018425743
P29275Adenosine receptor A2bG-protein coupled receptor 1 familyP29275136Homo sapiens (Human)0.00018097844
Q9UIF8Bromodomain adjacent to zinc finger domain protein 2B (hWALp4)WAL familyQ9UIF829994Homo sapiens (Human)0.00017373245
P184053-oxo-5-alpha-steroid 4-dehydrogenase 1 (EC 1.3.1.22) (SR type 1) (Steroid 5-alpha-reductase ...Steroid 5-alpha reductase familyP184056715Homo sapiens (Human)0.00017125446
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00017032147
O94782Ubiquitin carboxyl-terminal hydrolase 1 (EC 3.4.19.12) (Deubiquitinating enzyme 1) (hUBP) ...Peptidase C19 familyO947827398Homo sapiens (Human)0.00016961348
P08684Cytochrome P450 3A4 (EC 1.14.14.1) (1,4-cineole 2-exo-monooxygenase) (1,8-cineole 2-exo-monooxygenase) (EC ...Cytochrome P450 familyP086841576Homo sapiens (Human)0.00016915149
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyP082461991Homo sapiens (Human)0.00016881450

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
191982025-11-17
20:31:06		Target proteinsBalanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)Global drug-target interaction (DTI) network for the study of AA13 (version 2022)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.3, β = 0.1, γ = -0.5, k = 2, Top 50Download

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