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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C(/N=C(/NN(=O)=O)\NC)c1cnc(s1)Cl

Prepared SMILES:
CN/C(=N\Cc1cnc(s1)Cl)/NN(=O)=O

P29474Nitric oxide synthase, endothelial (EC 1.14.13.39) (Constitutive NOS) (cNOS) (EC-NOS) ...NOS familyP294744846Homo sapiens (Human)0.002246971
P29475Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...NOS familyP294754842Homo sapiens (Human)0.001911522
Q96D31Calcium release-activated calcium channel protein 1 (Protein orai-1) (Transmembrane protein ...Orai familyQ96D3184876Homo sapiens (Human)0.0016383
P37088Amiloride-sensitive sodium channel subunit alpha (Alpha-NaCH) (Epithelial Na(+) channel subunit ...Amiloride-sensitive sodium channel (TC 1.A.6) family, SCNN1A subfamilyP370886337Homo sapiens (Human)0.001530824
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyP415942915Homo sapiens (Human)0.0009256145
Q13224Glutamate receptor ionotropic, NMDA 2B (GluN2B) (Glutamate [NMDA] receptor subunit ...Glutamate-gated ion channel (TC 1.A.10.1) family, NR2B/GRIN2B subfamilyQ132242904Homo sapiens (Human)0.0009165936
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyP352284843Homo sapiens (Human)0.0007177947
P07711Procathepsin L (EC 3.4.22.15) (Cathepsin L1) (Major excreted protein) (MEP) ...Peptidase C1 familyP077111514Homo sapiens (Human)0.000525088
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)0.0004821929
P15289Arylsulfatase A (ASA) (EC 3.1.6.8) (Cerebroside-sulfatase) [Cleaved into: Arylsulfatase A ...Sulfatase familyP15289410Homo sapiens (Human)0.00045931110
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00044252211
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyP397482237Homo sapiens (Human)0.00044219212
P36544Neuronal acetylcholine receptor subunit alpha-7Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...P365441139Homo sapiens (Human)0.00042769713
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)0.00039913814
O60341Lysine-specific histone demethylase 1A (EC 1.14.99.66) (BRAF35-HDAC complex protein BHC110) ...Flavin monoamine oxidase familyO6034123028Homo sapiens (Human)0.00037312315
P49019Hydroxycarboxylic acid receptor 3 (G-protein coupled receptor 109B) (G-protein coupled ...G-protein coupled receptor 1 familyP490198843Homo sapiens (Human)0.0003697416
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyP102532548Homo sapiens (Human)0.000366317
Q99549M-phase phosphoprotein 8 (Two hybrid-associated protein 3 with RanBPM) (Twa3)Q9954954737Homo sapiens (Human)0.00033288618
P21730C5a anaphylatoxin chemotactic receptor 1 (C5a anaphylatoxin chemotactic receptor) (C5a-R) ...G-protein coupled receptor 1 familyP21730728Homo sapiens (Human)0.00033043619
P10635Cytochrome P450 2D6 (EC 1.14.14.-) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyP106351565Homo sapiens (Human)0.0003288220
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00032665821
P19838Nuclear factor NF-kappa-B p105 subunit (DNA-binding factor KBF1) (EBP-1) (Nuclear ...P198384790Homo sapiens (Human)0.00032361622
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.00031083423
Q9UNA4DNA polymerase iota (EC 2.7.7.7) (Eta2) (RAD30 homolog B)DNA polymerase type-Y familyQ9UNA411201Homo sapiens (Human)0.00030434524
P1406117-beta-hydroxysteroid dehydrogenase type 1 (17-beta-HSD 1) (EC 1.1.1.51) (20 alpha-hydroxysteroid ...Short-chain dehydrogenases/reductases (SDR) familyP140613292Homo sapiens (Human)0.00030300525
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyQ9Y5N111255Homo sapiens (Human)0.00030105626
P00352Aldehyde dehydrogenase 1A1 (EC 1.2.1.19) (EC 1.2.1.28) (EC 1.2.1.3) (EC ...Aldehyde dehydrogenase familyP00352216Homo sapiens (Human)0.00028422927
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.00028382928
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00027243729
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)0.00027058230
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-subfamilyP089083350Homo sapiens (Human)0.00026593631
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyP217281812Homo sapiens (Human)0.00026468532
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.00025934733
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00025825834
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.00025804235
P27169Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ...Paraoxonase familyP271695444Homo sapiens (Human)0.00025419136
P42785Lysosomal Pro-X carboxypeptidase (EC 3.4.16.2) (Angiotensinase C) (Lysosomal carboxypeptidase C) ...Peptidase S28 familyP427855547Homo sapiens (Human)0.00024941837
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00024891538
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyP007422159Homo sapiens (Human)0.00024881939
P478985-hydroxytryptamine receptor 5A (5-HT-5) (5-HT-5A) (5-HT5A) (Serotonin receptor 5A)G-protein coupled receptor 1 familyP478983361Homo sapiens (Human)0.00024734240
Q92830Histone acetyltransferase KAT2A (EC 2.3.1.48) (General control of amino acid ...Acetyltransferase family, GCN5 subfamilyQ928302648Homo sapiens (Human)0.00024546341
P3705917-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD 2) (20 alpha-hydroxysteroid dehydrogenase) (20-alpha-HSD) ...Short-chain dehydrogenases/reductases (SDR) familyP370593294Homo sapiens (Human)0.00024239642
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)P106364137Homo sapiens (Human)0.00024220143
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00023797444
P25021Histamine H2 receptor (H2R) (HH2R) (Gastric receptor I)G-protein coupled receptor 1 familyP250213274Homo sapiens (Human)0.00023696145
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)0.00023461846
Q9H3N8Histamine H4 receptor (H4R) (HH4R) (AXOR35) (G-protein coupled receptor 105) ...G-protein coupled receptor 1 familyQ9H3N859340Homo sapiens (Human)0.0002340147
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyP144161813Homo sapiens (Human)0.00023319748
P14902Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase)Indoleamine 2,3-dioxygenase familyP149023620Homo sapiens (Human)0.00021978549
Q9Y4D2Diacylglycerol lipase-alpha (DAGL-alpha) (DGL-alpha) (EC 3.1.1.116) (Neural stem cell-derived dendrite ...AB hydrolase superfamily, Lipase familyQ9Y4D2747Homo sapiens (Human)0.00021830350

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192412025-11-17
20:45:43		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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