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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
N1(C(=O)C(N(C(=O)C(N(C(=O)C(N(C(=O)[C@H](NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)CN(C(=O)C(NC(=O)C1[C@@H]([C@@H](C/C=C/C)C)O)CC)C)C)CC(C)C)C(C)C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)C)C(C)C)C

Prepared SMILES:
C/C=C/C[C@H]([C@H](C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)N[C@@H](C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C

P30405Peptidyl-prolyl cis-trans isomerase F, mitochondrial (PPIase F) (EC 5.2.1.8) (Cyclophilin ...Cyclophilin-type PPIase familyP3040510105Homo sapiens (Human)0.002532711
P23284Peptidyl-prolyl cis-trans isomerase B (PPIase B) (EC 5.2.1.8) (CYP-S1) (Cyclophilin ...Cyclophilin-type PPIase family, PPIase B subfamilyP232845479Homo sapiens (Human)0.00233872
P62937Peptidyl-prolyl cis-trans isomerase A (PPIase A) (EC 5.2.1.8) (Cyclophilin A) ...Cyclophilin-type PPIase family, PPIase A subfamilyP629375478Homo sapiens (Human)0.001908543
Q9NPD5Solute carrier organic anion transporter family member 1B3 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familyQ9NPD528234Homo sapiens (Human)0.001146464
P08183ATP-dependent translocase ABCB1 (ATP-binding cassette sub-family B member 1) (Multidrug ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...P081835243Homo sapiens (Human)0.0007313145
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyP007342147Homo sapiens (Human)0.0006720916
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.0005623617
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)0.000556648
Q13490Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of ...IAP familyQ13490329Homo sapiens (Human)0.0005317379
O95342Bile salt export pump (EC 7.6.2.-) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...O953428647Homo sapiens (Human)0.00049832710
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)0.00049509311
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00047045812
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyP007422159Homo sapiens (Human)0.00046130713
P07858Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ...Peptidase C1 familyP078581508Homo sapiens (Human)0.00044445114
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (SLCO1B1) (Liver-specific ...Organo anion transporter (TC 2.A.60) familyQ9Y6L610599Homo sapiens (Human)0.00043353215
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00043100616
P98170E3 ubiquitin-protein ligase XIAP (EC 2.3.2.27) (Baculoviral IAP repeat-containing protein ...IAP familyP98170331Homo sapiens (Human)0.00042645517
P00488Coagulation factor XIII A chain (Coagulation factor XIIIa) (EC 2.3.2.13) ...Transglutaminase superfamily, Transglutaminase familyP004882162Homo sapiens (Human)0.00042031318
P00797Renin (EC 3.4.23.15) (Angiotensinogenase)Peptidase A1 familyP007975972Homo sapiens (Human)0.00041267619
Q92887ATP-binding cassette sub-family C member 2 (EC 7.6.2.-) (EC 7.6.2.2) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyQ928871244Homo sapiens (Human)0.00041000620
Q7Z2W7Transient receptor potential cation channel subfamily M member 8 (Long ...Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM8 sub-subfamilyQ7Z2W779054Homo sapiens (Human)0.00040429121
P30968Gonadotropin-releasing hormone receptor (GnRH receptor) (GnRH-R)G-protein coupled receptor 1 familyP309682798Homo sapiens (Human)0.00039983722
P03956Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...Peptidase M10A familyP039564312Homo sapiens (Human)0.00039063723
P37288Vasopressin V1a receptor (V1aR) (AVPR V1a) (Antidiuretic hormone receptor 1a) ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP37288552Homo sapiens (Human)0.00037810124
P12872Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]Motilin familyP128724295Homo sapiens (Human)0.00037733625
Q13489Baculoviral IAP repeat-containing protein 3 (EC 2.3.2.27) (Apoptosis inhibitor 2) ...IAP familyQ13489330Homo sapiens (Human)0.00036573226
P25774Cathepsin S (EC 3.4.22.27)Peptidase C1 familyP257741520Homo sapiens (Human)0.00035393427
P48147Prolyl endopeptidase (PE) (EC 3.4.21.26) (Post-proline cleaving enzyme)Peptidase S9A familyP481475550Homo sapiens (Human)0.00035278428
P17655Calpain-2 catalytic subunit (EC 3.4.22.53) (Calcium-activated neutral proteinase 2) (CANP ...Peptidase C2 familyP17655824Homo sapiens (Human)0.00034830829
P08254Stromelysin-1 (SL-1) (EC 3.4.24.17) (Matrix metalloproteinase-3) (MMP-3) (Transin-1)Peptidase M10A familyP082544314Homo sapiens (Human)0.0003430530
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00033959531
P30518Vasopressin V2 receptor (V2R) (AVPR V2) (Antidiuretic hormone receptor) (Renal-type ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP30518554Homo sapiens (Human)0.00032722232
P78536Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ...P785366868Homo sapiens (Human)0.00032637533
P30559Oxytocin receptor (OT-R)G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP305595021Homo sapiens (Human)0.00032603534
P07339Cathepsin D (EC 3.4.23.5) [Cleaved into: Cathepsin D light chain; ...Peptidase A1 familyP073391509Homo sapiens (Human)0.00031928135
P07384Calpain-1 catalytic subunit (EC 3.4.22.52) (Calcium-activated neutral proteinase 1) (CANP ...Peptidase C2 familyP07384823Homo sapiens (Human)0.0003179636
Q9UNQ0Broad substrate specificity ATP-binding cassette transporter ABCG2 (EC 7.6.2.2) (ATP-binding ...ABC transporter superfamily, ABCG family, Eye pigment precursor importer (TC ...Q9UNQ09429Homo sapiens (Human)0.00031675537
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00030057738
P0825372 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...Peptidase M10A familyP082534313Homo sapiens (Human)0.00030009539
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00029273840
Q8TDU6G-protein coupled bile acid receptor 1 (G-protein coupled receptor GPCR19) ...G-protein coupled receptor 1 familyQ8TDU6151306Homo sapiens (Human)0.00029088441
P48454Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform (EC 3.1.3.16) (CAM-PRP ...PPP phosphatase family, PP-2B subfamilyP484545533Homo sapiens (Human)0.00029060842
Q08752Peptidyl-prolyl cis-trans isomerase D (PPIase D) (EC 5.2.1.8) (40 kDa ...Cyclophilin-type PPIase family, PPIase D subfamilyQ087525481Homo sapiens (Human)0.00029060843
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)0.00029037744
P12821Angiotensin-converting enzyme (ACE) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) (Kininase II) ...Peptidase M2 familyP128211636Homo sapiens (Human)0.00028791645
P47901Vasopressin V1b receptor (V1bR) (AVPR V1b) (AVPR V3) (Antidiuretic hormone ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP47901553Homo sapiens (Human)0.00027889546
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyP147804318Homo sapiens (Human)0.00027446847
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyP411454986Homo sapiens (Human)0.00026763548
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)0.00026340649
P30411B2 bradykinin receptor (B2R) (BK-2 receptor)G-protein coupled receptor 1 family, Bradykinin receptor subfamily, BDKRB2 sub-subfamilyP30411624Homo sapiens (Human)0.00026320150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192052025-11-17
20:32:46		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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