Table 2 Top ranked fluency hits for binding to ACE2, based on a consensus ranking using the results of both models
Drug Name | Highest similarity to known binder | pBind_a | pBind_b | pBind_a_rank | pBind_b_rank | Reverse Fluency Rank (out of 20,206) | Description |
|---|---|---|---|---|---|---|---|
Enalaprilat | 0.43 | 7.90 | 8.42 | 4 | 76 | 17 (0.084%) | ACE inhibitor; antihypertensive drug |
Orlistat | 0.25 | 6.11 | 8.43 | 42 | 72 | 43 (0.21%) | Reversible inhibitor of lipases; obesity drug |
Sotagliflozin | 0.39 | 5.55 | 8.53 | 83 | 36 | 55 (0.27%) | Inhibits sodium–glucose co-transporters; type I diabetes drug |
Tirofiban hydrochloride | 0.43 | 8.43 | 8.27 | 1 | 125 | 34 (0.17%) | Reversible antagonist of fibrinogen binding to the GP IIb/IIIa receptor; blood thinner |
Argatroban | 0.54 | 5.99 | 8.40 | 45 | 83 | 80 (0.40%) | Inhibiting thrombin-catalyzed or induced reactions; blood thinner |
Piperacillin sodium | 0.54 | 5.51 | 8.44 | 88 | 67 | 7 (0.035%) | Binds to specific penicillin-binding proteins; antibacterial |
Ramipril | 0.47 | 6.85 | 8.20 | 17 | 159 | 3 (0.015%) | ACE inhibitor; high blood pressure |
Lisinopril | 0.47 | 7.72 | 8.15 | 7 | 176 | 16 (0.08%) | ACE inhibitor; high blood pressure |
Monopril | 0.47 | 7.84 | 7.98 | 6 | 240 | 174 (0.86%) | ACE inhibitor; high blood pressure |
Captopril | 0.37 | 7.54 | 7.91 | 9 | 262 | 5 (0.025%) | ACE inhibitor; high blood pressure |
Nateglinide | 0.70 | 7.59 | 7.86 | 8 | 284 | 69 (0.34%) | Interacts with the ATP-sensitive potassium (K + ATP) channel on pancreatic beta-cells; anti-diabetic |
R-406 | 0.46 | 8.10 | 7.16 | 2 | 548 | 3735 (18.5%) | Tyrosine-protein kinase SYK inhibitor |
Emricasan | 0.44 | 7.10 | 8.07 | 14 | 209 | 250 (1.24%) | pan-caspase inhibitor |