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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C(C(OC(F)F)Cl)(F)(F)F

Prepared SMILES:
FC(OC(C(F)(F)F)Cl)F

Q08499cAMP-specific 3',5'-cyclic phosphodiesterase 4D (EC 3.1.4.53) (DPDE3) (PDE43)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyQ084995144Homo sapiens (Human)0.001385671
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ...Amidase familyO005192166Homo sapiens (Human)0.0008783882
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyP231411066Homo sapiens (Human)0.0007641983
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyP278155141Homo sapiens (Human)0.0005240164
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyO007488824Homo sapiens (Human)0.000444075
P52732Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamilyP527323832Homo sapiens (Human)0.000397816
Q07343cAMP-specific 3',5'-cyclic phosphodiesterase 4B (EC 3.1.4.53) (DPDE4) (PDE32)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyQ073435142Homo sapiens (Human)0.0003950557
Q9NRG4N-lysine methyltransferase SMYD2 (EC 2.1.1.-) (HSKM-B) (Histone methyltransferase SMYD2) (EC ...Class V-like SAM-binding methyltransferase superfamilyQ9NRG456950Homo sapiens (Human)0.0002977528
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyP5681723621Homo sapiens (Human)0.0002937419
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00027967210
Q9Y5Z0Beta-secretase 2 (EC 3.4.23.45) (Aspartic-like protease 56 kDa) (Aspartyl protease ...Peptidase A1 familyQ9Y5Z025825Homo sapiens (Human)0.00027684411
O75762Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ...Transient receptor (TC 1.A.4) familyO757628989Homo sapiens (Human)0.00027380712
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00026964413
O00408cGMP-dependent 3',5'-cyclic phosphodiesterase (EC 3.1.4.17) (Cyclic GMP-stimulated phosphodiesterase) (CGS-PDE) (cGSPDE)Cyclic nucleotide phosphodiesterase family, PDE2 subfamilyO004085138Homo sapiens (Human)0.00026688214
Q14432cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (EC 3.1.4.17) (Cyclic GMP-inhibited phosphodiesterase A) ...Cyclic nucleotide phosphodiesterase family, PDE3 subfamilyQ144325139Homo sapiens (Human)0.0002626615
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00025390216
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00024850717
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyP13945155Homo sapiens (Human)0.00024391918
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00023537219
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00023419620
P25116Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)G-protein coupled receptor 1 familyP251162149Homo sapiens (Human)0.00022460921
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyP785275591Homo sapiens (Human)0.00021617522
P49327Fatty acid synthase (EC 2.3.1.85) (Type I fatty acid synthase) ...P493272194Homo sapiens (Human)0.00021065623
Q12809Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ...Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamilyQ128093757Homo sapiens (Human)0.00020377124
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)0.00017933325
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.00017735126
O95822Malonyl-CoA decarboxylase, mitochondrial (MCD) (EC 4.1.1.9)O9582223417Homo sapiens (Human)0.00017611427
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00017416728
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.00016206229
P29275Adenosine receptor A2bG-protein coupled receptor 1 familyP29275136Homo sapiens (Human)0.00016075130
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)0.00015713431
Q14654ATP-sensitive inward rectifier potassium channel 11 (IKATP) (Inward rectifier K(+) ...Inward rectifier-type potassium channel (TC 1.A.2.1) family, KCNJ11 subfamilyQ146543767Homo sapiens (Human)0.0001561932
O15244Solute carrier family 22 member 2 (Organic cation transporter 2) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...O152446582Homo sapiens (Human)0.00015407133
P30542Adenosine receptor A1G-protein coupled receptor 1 familyP30542134Homo sapiens (Human)0.00015213834
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyP29274135Homo sapiens (Human)0.00014912435
P11597Cholesteryl ester transfer protein (Lipid transfer protein I)BPI/LBP/Plunc superfamily, BPI/LBP familyP115971071Homo sapiens (Human)0.00014888236
Q96FL8Multidrug and toxin extrusion protein 1 (MATE-1) (hMATE-1) (Solute carrier ...Multi antimicrobial extrusion (MATE) (TC 2.A.66.1) familyQ96FL855244Homo sapiens (Human)0.00014742537
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.00014289738
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.00014075839
Q14416Metabotropic glutamate receptor 2 (mGluR2)G-protein coupled receptor 3 familyQ144162912Homo sapiens (Human)0.00014064140
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyQ997052847Homo sapiens (Human)0.00013802941
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00013498142
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00915759Homo sapiens (Human)0.00013483243
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00013288444
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyP051771544Homo sapiens (Human)0.00013169945
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyQ9Y5N111255Homo sapiens (Human)0.00013102946
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyQ16790768Homo sapiens (Human)0.00012998447
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.00012955748
P49768Presenilin-1 (PS-1) (EC 3.4.23.-) (Protein S182) [Cleaved into: Presenilin-1 NTF ...Peptidase A22A familyP497685663Homo sapiens (Human)0.00012802549
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.00012784950

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192272025-11-17
20:40:36		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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