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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
[C@H]1([C@H](C2=C(C(=O)C(=C(C2=CO1)O)C(=O)O)C)C)C

Prepared SMILES:
C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C

Q02127Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase)Dihydroorotate dehydrogenase family, Type 2 subfamilyQ021271723Homo sapiens (Human)0.0007703021
P18089Alpha-2B adrenergic receptor (Alpha-2 adrenergic receptor subtype C2) (Alpha-2B adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2B sub-subfamilyP18089151Homo sapiens (Human)0.0007618232
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyP18825152Homo sapiens (Human)0.0007469133
P08913Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamilyP08913150Homo sapiens (Human)0.0006331144
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.0006183335
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)0.0005588356
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00054737
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0004223268
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.0004179119
P25116Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)G-protein coupled receptor 1 familyP251162149Homo sapiens (Human)0.00040541710
Q9NSA0Solute carrier family 22 member 11 (Organic anion transporter 4) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...Q9NSA055867Homo sapiens (Human)0.00039171611
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00038570912
P10635Cytochrome P450 2D6 (EC 1.14.14.-) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyP106351565Homo sapiens (Human)0.00035846513
Q8TCC7Organic anion transporter 3 (hOAT3) (Organic anion/dicarboxylate exchanger) (Solute carrier ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...Q8TCC79376Homo sapiens (Human)0.00034191314
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyQ046092346Homo sapiens (Human)0.00031510215
Q4U2R8Solute carrier family 22 member 6 (Organic anion transporter 1) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...Q4U2R89356Homo sapiens (Human)0.00030880316
P18031Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ...Protein-tyrosine phosphatase family, Non-receptor class 1 subfamilyP180315770Homo sapiens (Human)0.00030790617
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyP051771544Homo sapiens (Human)0.00029122218
Q9GZU7Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 ...Q9GZU758190Homo sapiens (Human)0.00028146719
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)0.0002713520
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyP217316915Homo sapiens (Human)0.00025442121
P29992Guanine nucleotide-binding protein subunit alpha-11 (G alpha-11) (G-protein subunit alpha-11) ...G-alpha family, G(q) subfamilyP299922767Homo sapiens (Human)0.00024155422
P32929Cystathionine gamma-lyase (CGL) (CSE) (EC 4.4.1.1) (Cysteine desulfhydrase) (Cysteine-protein sulfhydrase) ...Trans-sulfuration enzymes familyP329291491Homo sapiens (Human)0.00023626923
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00023272224
Q9Y253DNA polymerase eta (EC 2.7.7.7) (RAD30 homolog A) (Xeroderma pigmentosum ...DNA polymerase type-Y familyQ9Y2535429Homo sapiens (Human)0.00022096525
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyQ9Y5Y411251Homo sapiens (Human)0.00021973626
P54132RecQ-like DNA helicase BLM (EC 3.6.4.12) (Bloom syndrome protein) (DNA ...Helicase family, RecQ subfamilyP54132641Homo sapiens (Human)0.00021524827
P46059Solute carrier family 15 member 1 (Intestinal H(+)/peptide cotransporter) (Oligopeptide ...Major facilitator superfamily, Proton-dependent oligopeptide transporter (POT/PTR) (TC 2.A.17) familyP460596564Homo sapiens (Human)0.00021017628
O14983Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (SERCA1) (SR Ca(2+)-ATPase 1) (EC ...Cation transport ATPase (P-type) (TC 3.A.3) family, Type IIA subfamilyO14983487Homo sapiens (Human)0.00020940429
P312133-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ...Steroid 5-alpha reductase familyP312136716Homo sapiens (Human)0.0002062630
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyP114737421Homo sapiens (Human)0.00020500731
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00020110632
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.0001985233
P24557Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1) ...Cytochrome P450 familyP245576916Homo sapiens (Human)0.00019704534
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00018963235
Q8TDS4Hydroxycarboxylic acid receptor 2 (G-protein coupled receptor 109A) (G-protein coupled ...G-protein coupled receptor 1 familyQ8TDS4338442Homo sapiens (Human)0.00018712236
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyP372315468Homo sapiens (Human)0.00018570437
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00018479538
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyP040353156Homo sapiens (Human)0.00018189139
P15289Arylsulfatase A (ASA) (EC 3.1.6.8) (Cerebroside-sulfatase) [Cleaved into: Arylsulfatase A ...Sulfatase familyP15289410Homo sapiens (Human)0.00018134240
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)0.00017867241
Q16348Solute carrier family 15 member 2 (Kidney H(+)/peptide cotransporter) (Oligopeptide ...Major facilitator superfamily, Proton-dependent oligopeptide transporter (POT/PTR) (TC 2.A.17) familyQ163486565Homo sapiens (Human)0.00017608142
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.00017322443
P11712Cytochrome P450 2C9 (EC 1.14.14.1) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyP117121559Homo sapiens (Human)0.00016804644
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00016735945
P30531Sodium- and chloride-dependent GABA transporter 1 (GAT-1) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A1 subfamilyP305316529Homo sapiens (Human)0.00016284946
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyQ078695465Homo sapiens (Human)0.00016064547
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ...Amidase familyO005192166Homo sapiens (Human)0.00015968948
P33261Cytochrome P450 2C19 (EC 1.14.14.1) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyP332611557Homo sapiens (Human)0.00015864349
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)0.0001580950

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192792025-11-17
21:13:53		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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