Table 2.
Relevant pathways shared by multiple drug targets.
| ida | drug | Primary target(s) |
Relevant Pathways | Pathway BSID |
No. of targets | P-valuee | ||
|---|---|---|---|---|---|---|---|---|
| Mb | Bc | Gd | ||||||
| 1 | Actinomycin | DNA | Integrated Pancreatic Cancer Pathway | 711360 | NA f | 0 | 8 | 2.42e-10 |
| Apoptosis | 198797 | NA | 0 | 7 | 2.48e-11 | |||
| 105648 | NA | 0 | 5 | 5.35e-06 | ||||
| 83060 | NA | 0 | 5 | 1.14e-07 | ||||
| Integrated Breast Cancer Pathway | 219801 | NA | 0 | 7 | 9.04e-08 | |||
| Pathways in Cancer | 83105 | NA | 0 | 7 | 3.62e-07 | |||
| Acute Myeloid Leukemia | 83117 | NA | 0 | 6 | 4.36e-08 | |||
| Apoptosis Modulation and Signaling | 198822 | NA | 0 | 5 | 1.14e-07 | |||
| Prostate Cancer | 755440 | NA | 0 | 5 | 6.04e-07 | |||
| Integrated Cancer Pathway | 672450 | NA | 0 | 3 | 2.15e-05 | |||
| Pancreatic Cancer | 83108 | NA | 0 | 3 | 8.92e-03 | |||
| Small Cell Lung Cancer | 83118 | NA | 0 | 2 | 8.11e-03 | |||
| Prostate Cancer | 83111 | NA | 0 | 2 | 8.67e-03 | |||
| Endometrial Cancer | 83109 | NA | 0 | 2 | 3.04e-03 | |||
| Colorectal Cancer | 83106 | NA | 0 | 2 | 4.30e-03 | |||
| 2 | Adenosine | ADORs | Vascular Smooth Muscle Contraction | 96530 | 1* | 3 | NA | 3.77e-04 |
| 3 | Bortezomib | protease | Protein Processing in Endoplasmic Reticulum | 167325 | NA | 2 | 4 | 2.08e-06 |
| Parkin-Ubiquitin Proteasomal System pathway | 700638 | NA | 1 | 4 | 1.72e-03 | |||
| 4 | Celecoxib | PTGS2 | Pathways in Cancer | 83105 | 0 | 1 | 11 | 1.87e-05 |
| Small Cell Lung Cancer | 83118 | 0 | 1 | 8 | 1.58e-07 | |||
| Integrated Pancreatic Cancer Pathway | 711360 | 0 | 1 | 7 | 4.82e-04 | |||
| Eicosanoid Synthesis | 198888 | 0 | 2 | 2 | 4.24e-04 | |||
| Arachidonic AcidMetabolism | 82991 | 0 | 2 | 2 | 1.07e-02 | |||
| 685553 | 0 | 2 | 2 | 6.02e-03 | ||||
| 6 | Doxorubicin | DNA | Integrated Pancreatic Cancer Pathway | 711360 | NA | 4 | 14 | 6.57e-22 |
| Pathways in Cancer | 83105 | NA | 3 | 14 | 2.06e-16 | |||
| Apoptosis | 198797 | NA | 2 | 14 | 7.89e-25 | |||
| 105648 | NA | 2 | 11 | 1.15e-14 | ||||
| 83060 | NA | 2 | 11 | 1.12e-18 | ||||
| Apoptosis Modulation and Signaling | 198822 | NA | 2 | 11 | 3.45e-19 | |||
| Prostate Cancer | 755440 | NA | 1 | 11 | 1.74e-15 | |||
| Integrated Breast Cancer Pathway | 219801 | NA | 1 | 10 | 3.50e-12 | |||
| Pancreatic Cancer | 83108 | NA | 2 | 6 | 5.97e-11 | |||
| Prostate Cancer | 83111 | NA | 2 | 6 | 6.92e-10 | |||
| Small Cell Lung Cancer | 83118 | NA | 2 | 5 | 1.81e-08 | |||
| Integrated Cancer Pathway | 672450 | NA | 1 | 6 | 2.58e-11 | |||
| Endometrial Cancer | 83109 | NA | 1 | 6 | 4.92e-10 | |||
| Colorectal Cancer | 83106 | NA | 1 | 6 | 1.76e-09 | |||
| Chronic myeloid leukemia | 83116 | NA | 1 | 6 | 1.76e-09 | |||
| Acute Myeloid Leukemia | 83117 | NA | 0 | 6 | 4.36e-08 | |||
| Bladder Cancer | 83115 | NA | 1 | 4 | 2.04e-07 | |||
| Glioma | 83110 | NA | 0 | 4 | 8.00e-05 | |||
| Melanoma | 83114 | NA | 1 | 2 | 2.03e-03 | |||
| Gastric cancer network 2 | 760637 | NA | 1 | 2 | 2.33e-04 | |||
| 7 | Fluorouracil | TYMS | Cell Cycle | 530733 | 0 | 2 | 19 | 1.01e-09 |
| Cell Cycle, Mitotic | 105765 | 0 | 1 | 17 | 7.80e-09 | |||
| Integrated Pancreatic Cancer Pathway | 711360 | 0 | 2 | 16 | 2.10e-13 | |||
| Mitotic G1-G1/S Phases | 160941 | 0 | 1 | 11 | 1.96e-09 | |||
| G1/S Transition | 105769 | 0 | 1 | 8 | 4.50e-07 | |||
| Pyrimidine Metabolism | 82946 | 1 | 1 | 4 | 1.57e-03 | |||
| Pyrimidine Deoxyribonucleotides de novo Biosynthesis I | 782380 | 0 | 1 | 3 | 2.16e-03 | |||
| Pyrimidine Metabolism | 106281 | 1 | 1 | 2 | 9.12e-04 | |||
| 8 | Gefitinib | EGFR | Integrated Pancreatic Cancer Pathway | 711360 | 1* | 8 | NA | 3.67e-05 |
| Pathways in Cancer | 83105 | 1* | 7 | NA | 5.11e-03 | |||
| Signaling by FGFR in disease | 645274 | 1* | 6 | NA | 1.13e-03 | |||
| Signaling by FGFR | 106343 | 1* | 6 | NA | 7.00e-04 | |||
| Integrated Breast Cancer Pathway | 219801 | 1* | 4 | NA | 1.76e-02 | |||
| Signaling Pathways in Glioblastoma | 672458 | 1* | 4 | NA | 1.77e-03 | |||
| Pancreatic Cancer | 83108 | 1* | 3 | NA | 8.93e-03 | |||
| Bladder Cancer | 83115 | 1* | 2 | NA | 2.51e-02 | |||
| 11 | Rosiglitazone | PPARs | PPAR Signaling Pathway | 83042 | NA | 1 | 4 | 5.83e-06 |
| Insulin Signaling Pathway | 83090 | NA | 1 | 3 | 1.89e-03 | |||
| 12 | Tamoxifen | ESR1 | Integrated Pancreatic Cancer Pathway | 711360 | NA | 6 | NA | 3.88e-03 |
| Integrated Breast Cancer Pathway | 219801 | NA | 4 | NA | 4.93e-02 | |||
| 13 | Tretinoin | RARs | Pathways in Cancer | 83105 | 0 | 7 | 4 | 6.36e-03 |
| Transcriptional Misregulation in Cancer | 523016 | 0 | 4 | 7 | 6.16e-05 | |||
| Integrated Pancreatic Cancer Pathway | 711360 | 0 | 6 | 2 | 6.36e-03 | |||
| Retinoic Acid Receptors-mediated Signaling | 138039 | 0 | 5 | 0 | 2.14e-04 | |||
| Non-small Cell Lung Cancer | 83119 | 0 | 5 | 0 | 4.65e-03 | |||
| Small Cell Lung Cancer | 83118 | 0 | 4 | 1 | 2.04e-02 | |||
| Acute Myeloid Leukemia | 83117 | 0 | 3 | 2 | 4.96e-03 | |||
| 16 | Vincristine | tubulin | Cell Cycle | 530733 | NA | 2 | 2 | 4.25e-03 |
| Cell Cycle, Mitotic | 105765 | NA | 2 | 1 | 1.74e-02 | |||
Numbers are consistent with those in Table 1.
Number of target proteins retrieved from the links to the protein structures at the PubChem Compound database (short cut to MMDB).
Numbers with * indicate that the crystal structure of the primary target in complex with the drug is included.
Number of target proteins retrieved from PubChem BioAssay (excluding the targets with crystal structures) involved in the particular pathway.
Number of target genes retrieved via GEO DataSets (excluding the targets with crystal structures and obtained from BioAssay) involved in the particular pathway.
The enrichment statistics P values were calculated based on a modified Fisher’s Exact Test compared to a background with all human pathways in the BioSystems database. Only pathways with P < 0.05 are shown as being enriched for investigated drugs in the table.
Not available. No targets retrieved via PubChem Compound (link to MMDB) or GEO.