The top-3 critical paths and top-3 KEGG pathways of the potential drugs for the treatment of prostate cancer
| Drug . | Critical paths (Top-3) . | KEGG pathways (Top-3) . |
|---|---|---|
| Dutasteride | SRD5A2 ORM1|$\to$|TMSB4X SRD5A1|$\to$|UGT2B17 | PI3K-Akt signaling pathway Lipid and atherosclerosis Hepatitis B |
| Aspirin | PLAUR FASLG TGFB1 | Proteoglycans in cancer Hepatitis B Lipid and atherosclerosis |
| Erlotinib | STAT3 CYP3A5 STAT3|$\to$|NT5C2 | EGFR tyrosine kinase inhibitor resistance Chemical carcinogenesis—receptor activation Prostate cancer |
| Nicergoline | ADRA1A ARRA1A|$\to$|Hydrogen|$\to$|Azelaic Acid|$\to$|SRD5A2 ADRA1A|$\to$|Triphosadenine|$\to$|Diethylstilbestrol|$\to$|SLC30A3 | Steroid hormone biosynthesis Prostate cancer Cysteine and methionine metabolism |
| Acetohydroxamic acid | MMP13 MMP8|$\to$|KLK2 MMP13|$\to$|MMP7 | Human T-cell leukemia virus 1 infection Prostate cancer Human cytomegalovirus infection |
| Midostaurin | RET AURKB CYP3A5 | PI3K-Akt signaling pathway Chemical carcinogenesis—receptor activation Chemical carcinogenesis—DNA adducts |
| Apalutamide | Enzalutamide|$\to$|CYP3A5 ABCB1 Abiraterone|$\to$|SULT2A1 | Prostate cancer Chemical carcinogenesis—DNA adducts Metabolism of xenobiotics by cytochrome P450 |
| Atorvastatin | ABCC4 CYP3A5 CYP2C19 | Chemical carcinogenesis—DNA adducts Drug metabolism—cytochrome P450 Metabolism of xenobiotics by cytochrome P450 |
| Carisoprodol | CYP2C19 CYP2C19|$\to$|Hydrogen|$\to$|Glycerol|$\to$|FERMT2 Oxicone|$\to$|Chloride ion|$\to$|ITGAV | Arachidonic acid metabolism Chemical carcinogenesis—DNA adducts Drug metabolism—cytochrome P450 |
| Oxcarbazepine | AKR1C3 CYP2C19 ABCB1 | Steroid hormone biosynthesis Chemical carcinogenesis—DNA adducts Chemical carcinogenesis—reactive oxygen species |
| Drug . | Critical paths (Top-3) . | KEGG pathways (Top-3) . |
|---|---|---|
| Dutasteride | SRD5A2 ORM1|$\to$|TMSB4X SRD5A1|$\to$|UGT2B17 | PI3K-Akt signaling pathway Lipid and atherosclerosis Hepatitis B |
| Aspirin | PLAUR FASLG TGFB1 | Proteoglycans in cancer Hepatitis B Lipid and atherosclerosis |
| Erlotinib | STAT3 CYP3A5 STAT3|$\to$|NT5C2 | EGFR tyrosine kinase inhibitor resistance Chemical carcinogenesis—receptor activation Prostate cancer |
| Nicergoline | ADRA1A ARRA1A|$\to$|Hydrogen|$\to$|Azelaic Acid|$\to$|SRD5A2 ADRA1A|$\to$|Triphosadenine|$\to$|Diethylstilbestrol|$\to$|SLC30A3 | Steroid hormone biosynthesis Prostate cancer Cysteine and methionine metabolism |
| Acetohydroxamic acid | MMP13 MMP8|$\to$|KLK2 MMP13|$\to$|MMP7 | Human T-cell leukemia virus 1 infection Prostate cancer Human cytomegalovirus infection |
| Midostaurin | RET AURKB CYP3A5 | PI3K-Akt signaling pathway Chemical carcinogenesis—receptor activation Chemical carcinogenesis—DNA adducts |
| Apalutamide | Enzalutamide|$\to$|CYP3A5 ABCB1 Abiraterone|$\to$|SULT2A1 | Prostate cancer Chemical carcinogenesis—DNA adducts Metabolism of xenobiotics by cytochrome P450 |
| Atorvastatin | ABCC4 CYP3A5 CYP2C19 | Chemical carcinogenesis—DNA adducts Drug metabolism—cytochrome P450 Metabolism of xenobiotics by cytochrome P450 |
| Carisoprodol | CYP2C19 CYP2C19|$\to$|Hydrogen|$\to$|Glycerol|$\to$|FERMT2 Oxicone|$\to$|Chloride ion|$\to$|ITGAV | Arachidonic acid metabolism Chemical carcinogenesis—DNA adducts Drug metabolism—cytochrome P450 |
| Oxcarbazepine | AKR1C3 CYP2C19 ABCB1 | Steroid hormone biosynthesis Chemical carcinogenesis—DNA adducts Chemical carcinogenesis—reactive oxygen species |
These drugs are ranked top 10 by iDPath among all the FDA-approved drugs used in this study. The head (drug) and tail (prostate cancer) of these critical paths are ignored due to the limit of space. The top-3 critical paths are determined by the weights generated by the path attention module. The KEGG pathways are identified by KEGG enrichment analysis on the proteins existed in the top-50 critical paths and ranked by P-adjust values.
The top-3 critical paths and top-3 KEGG pathways of the potential drugs for the treatment of prostate cancer
| Drug . | Critical paths (Top-3) . | KEGG pathways (Top-3) . |
|---|---|---|
| Dutasteride | SRD5A2 ORM1|$\to$|TMSB4X SRD5A1|$\to$|UGT2B17 | PI3K-Akt signaling pathway Lipid and atherosclerosis Hepatitis B |
| Aspirin | PLAUR FASLG TGFB1 | Proteoglycans in cancer Hepatitis B Lipid and atherosclerosis |
| Erlotinib | STAT3 CYP3A5 STAT3|$\to$|NT5C2 | EGFR tyrosine kinase inhibitor resistance Chemical carcinogenesis—receptor activation Prostate cancer |
| Nicergoline | ADRA1A ARRA1A|$\to$|Hydrogen|$\to$|Azelaic Acid|$\to$|SRD5A2 ADRA1A|$\to$|Triphosadenine|$\to$|Diethylstilbestrol|$\to$|SLC30A3 | Steroid hormone biosynthesis Prostate cancer Cysteine and methionine metabolism |
| Acetohydroxamic acid | MMP13 MMP8|$\to$|KLK2 MMP13|$\to$|MMP7 | Human T-cell leukemia virus 1 infection Prostate cancer Human cytomegalovirus infection |
| Midostaurin | RET AURKB CYP3A5 | PI3K-Akt signaling pathway Chemical carcinogenesis—receptor activation Chemical carcinogenesis—DNA adducts |
| Apalutamide | Enzalutamide|$\to$|CYP3A5 ABCB1 Abiraterone|$\to$|SULT2A1 | Prostate cancer Chemical carcinogenesis—DNA adducts Metabolism of xenobiotics by cytochrome P450 |
| Atorvastatin | ABCC4 CYP3A5 CYP2C19 | Chemical carcinogenesis—DNA adducts Drug metabolism—cytochrome P450 Metabolism of xenobiotics by cytochrome P450 |
| Carisoprodol | CYP2C19 CYP2C19|$\to$|Hydrogen|$\to$|Glycerol|$\to$|FERMT2 Oxicone|$\to$|Chloride ion|$\to$|ITGAV | Arachidonic acid metabolism Chemical carcinogenesis—DNA adducts Drug metabolism—cytochrome P450 |
| Oxcarbazepine | AKR1C3 CYP2C19 ABCB1 | Steroid hormone biosynthesis Chemical carcinogenesis—DNA adducts Chemical carcinogenesis—reactive oxygen species |
| Drug . | Critical paths (Top-3) . | KEGG pathways (Top-3) . |
|---|---|---|
| Dutasteride | SRD5A2 ORM1|$\to$|TMSB4X SRD5A1|$\to$|UGT2B17 | PI3K-Akt signaling pathway Lipid and atherosclerosis Hepatitis B |
| Aspirin | PLAUR FASLG TGFB1 | Proteoglycans in cancer Hepatitis B Lipid and atherosclerosis |
| Erlotinib | STAT3 CYP3A5 STAT3|$\to$|NT5C2 | EGFR tyrosine kinase inhibitor resistance Chemical carcinogenesis—receptor activation Prostate cancer |
| Nicergoline | ADRA1A ARRA1A|$\to$|Hydrogen|$\to$|Azelaic Acid|$\to$|SRD5A2 ADRA1A|$\to$|Triphosadenine|$\to$|Diethylstilbestrol|$\to$|SLC30A3 | Steroid hormone biosynthesis Prostate cancer Cysteine and methionine metabolism |
| Acetohydroxamic acid | MMP13 MMP8|$\to$|KLK2 MMP13|$\to$|MMP7 | Human T-cell leukemia virus 1 infection Prostate cancer Human cytomegalovirus infection |
| Midostaurin | RET AURKB CYP3A5 | PI3K-Akt signaling pathway Chemical carcinogenesis—receptor activation Chemical carcinogenesis—DNA adducts |
| Apalutamide | Enzalutamide|$\to$|CYP3A5 ABCB1 Abiraterone|$\to$|SULT2A1 | Prostate cancer Chemical carcinogenesis—DNA adducts Metabolism of xenobiotics by cytochrome P450 |
| Atorvastatin | ABCC4 CYP3A5 CYP2C19 | Chemical carcinogenesis—DNA adducts Drug metabolism—cytochrome P450 Metabolism of xenobiotics by cytochrome P450 |
| Carisoprodol | CYP2C19 CYP2C19|$\to$|Hydrogen|$\to$|Glycerol|$\to$|FERMT2 Oxicone|$\to$|Chloride ion|$\to$|ITGAV | Arachidonic acid metabolism Chemical carcinogenesis—DNA adducts Drug metabolism—cytochrome P450 |
| Oxcarbazepine | AKR1C3 CYP2C19 ABCB1 | Steroid hormone biosynthesis Chemical carcinogenesis—DNA adducts Chemical carcinogenesis—reactive oxygen species |
These drugs are ranked top 10 by iDPath among all the FDA-approved drugs used in this study. The head (drug) and tail (prostate cancer) of these critical paths are ignored due to the limit of space. The top-3 critical paths are determined by the weights generated by the path attention module. The KEGG pathways are identified by KEGG enrichment analysis on the proteins existed in the top-50 critical paths and ranked by P-adjust values.
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