TABLE 1.
Validation of model predictions against in vivo literature data
| Drug category | Predicted | Measured | PMID |
|---|---|---|---|
| Arsenic trioxide: competitive AP1, ERK agonist | ↑ | ↑ | 22853924 |
| 25 drugs: competitive BAR antagonist | − | − / ↓ | 10898446 |
| Amiodarone: noncompetitive BAR antagonist | − | − | 27652141 |
| Urokinase: noncompetitive PAI1 antagonist | − | ↑ | 15297377, 20380835 |
| 13 drugs: competitive ACE antagonist | ↓ | ↓ | 11851355, 9593063, 10993857, 9330127, 10898446 |
| 9 drugs: competitive AT1R antagonist | ↓ | ↓ | 25823960, 22128836, 28656296, 14516412, 9349385, 28656296, 23429590, 23727946 |
| 2 drugs: noncompetitive PDGFR antagonist | ↓ | ↓ | 17161265 |
| Sorafenib: noncompetitive PDGFR, Raf antagonist | ↓ | − | 24718482 |
| Cobimetinib: competitive MEK1 antagonist | ↓ | ↓ | 27936014 |
| Thalidomide: noncompetitive NF‐κB, TNFa antagonist | ↓ | ↓ | 16549389 |
| 2 drugs; competitive TNFa antagonist | ↓ | ↓ | 15949474 |
| 4 drugs: competitive ETAR antagonist | ↓ | ↓ / ↑ | 12738614, 12061394 / 11179039 |
| Marimastat: competitive MMP1, MMP2, MMP9, MMP14 antagonist | ↓ | ↑ | 12658202 |
| 24 drugs: competitive BAR agonist | ↓ | ↑ | 31615408, 2527639, 28549109 |
| Entresto: competitive AT1R antagonist, competitive NPRA agonist | ↓ | ↓ | 25362207 |
| Isosorbide Dinitrate: NPRA agonist | ↓ | ↓ | 28810603 |
Abbreviation: PDGFR, platelet‐derived growth factor receptor.