Job ID(s):

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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
Cn1c(SCC(=O)Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)nc2ccccc2c1=O

Prepared SMILES:
O=C(Nc1nnc(s1)SCc1csc(n1)c1ccccc1)CSc1nc2ccccc2c(=O)n1C

hsa04610Complement and coagulation cascades0.0005915331
hsa04510Focal adhesion0.0005198712
hsa03320PPAR signaling pathway0.0004590913
hsa04915Estrogen signaling pathway0.0004328024
hsa04974Protein digestion and absorption0.0004280795
hsa04151PI3K-Akt signaling pathway0.0004274996
hsa04978Mineral absorption0.0004141747
hsa00100Steroid biosynthesis0.0004137598
hsa04640Hematopoietic cell lineage0.0004125249
hsa04612Antigen processing and presentation0.00036484910
hsa04216Ferroptosis0.00034524411
hsa04115p53 signaling pathway0.00031107112
hsa04924Renin secretion0.00029996713
hsa04657IL-17 signaling pathway0.00028891114
hsa04010MAPK signaling pathway0.00028058415
hsa04062Chemokine signaling pathway0.00026544216
hsa04015Rap1 signaling pathway0.00025569317
hsa04670Leukocyte transendothelial migration0.00025298818
hsa04066HIF-1 signaling pathway0.00024922319
hsa04964Proximal tubule bicarbonate reclamation0.00024796420
hsa00480Glutathione metabolism0.00024550721
hsa04923Regulation of lipolysis in adipocytes0.00024155822
hsa04218Cellular senescence0.00024011623
hsa00980Metabolism of xenobiotics by cytochrome P4500.00023868324
hsa04668TNF signaling pathway0.00023864725
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00023518626
hsa00380Tryptophan metabolism0.00023480227
hsa04918Thyroid hormone synthesis0.000232828
hsa04068FoxO signaling pathway0.00022956529
hsa04972Pancreatic secretion0.00022846430
hsa04960Aldosterone-regulated sodium reabsorption0.00022725131
hsa04520Adherens junction0.00022521132
hsa00010Glycolysis / Gluconeogenesis0.00022309133
hsa04210Apoptosis0.00021850834
hsa04979Cholesterol metabolism0.0002130735
hsa04913Ovarian steroidogenesis0.00021264336
hsa00340Histidine metabolism0.00021247537
hsa00910Nitrogen metabolism0.00020945338
hsa04970Salivary secretion0.00020901539
hsa04350TGF-beta signaling pathway0.00020734740
hsa04971Gastric acid secretion0.00019977141
hsa04310Wnt signaling pathway0.00019959342
hsa04110Cell cycle0.00019880243
hsa04926Relaxin signaling pathway0.00019808444
hsa00982Drug metabolism - cytochrome P4500.00019438845
hsa04540Gap junction0.00018727846
hsa00051Fructose and mannose metabolism0.00018559747
hsa04550Signaling pathways regulating pluripotency of stem cells0.00018530348
hsa00350Tyrosine metabolism0.0001820649
hsa00900Terpenoid backbone biosynthesis0.00018107350

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
189512025-11-11
13:45:28
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCS Downloadα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50Download

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