Table 3.
Top predicted X and D category drugs and preclinical compounds.
| Drug | D & X L1000 | D & X structure | Weighted | Top rank | D known | X known |
|---|---|---|---|---|---|---|
| Enalaprilat | 1 | 1 | 1 | 0 | 0 | |
| TAK-715 | 1 | 1 | 0 | 0 | ||
| Pitavastatin | 2 | 11 | 2 | 0 | 0 | |
| BRD-K08703257 | 2 | 2 | 0 | 0 | ||
| Ramipril | 3 | 2 | 3 | 1 | 0 | |
| Pentoxifylline | 3 | 3 | 0 | 0 | ||
| Trandolapril | 3 | 6 | 4 | 1 | 0 | |
| Troglitazone | 4 | 4 | 0 | 0 | ||
| Perindopril | 4 | 3 | 5 | 1 | 0 | |
| FTI-276 | 5 | 5 | 0 | 0 | ||
| BRD-K76846644 | 5 | 5 | 6 | 0 | 0 | |
| Gossypetin | 7 | 6 | 0 | 0 | ||
| Pravastatin | 6 | 4 | 7 | 0 | 1 | |
| Phenothiazine | 9 | 7 | 0 | 0 | ||
| Evodiamine | 7 | 7 | 8 | 0 | 0 | |
| Lorazepam | 10 | 8 | 1 | 0 | ||
| BRD-K40167599 | 8 | 9 | 0 | 0 | ||
| Losartan | 11 | 9 | 1 | 0 | ||
| Lovastatin | 9 | 10 | 0 | 1 | ||
| Zebularine | 13 | 10 | 0 | 0 | ||
| CTPB | 10 | 15 | 11 | 0 | 0 | |
| Risperidone | 11 | 0 | 0 | |||
| VX-765 | 11 | 8 | 12 | 0 | 0 | |
| BMS-191011 | 12 | 0 | 0 | |||
| Methiopril | 12 | 10 | 13 | 0 | 0 | |
| EX-527 | 13 | 0 | 0 | |||
| Canrenone | 13 | 12 | 14 | 0 | 0 | |
| BRD-K55591206 | 14 | 0 | 0 | |||
| BRD-K80672993 | 15 | 0 | 0 | |||
| Oxytetracycline | 14 | 15 | 0 | 0 | ||
| BRD-K63784565 | 9 | 0 | 0 | |||
| Zofenopril-calcium | 13 | 0 | 0 | |||
| BRD-K93367411 | 14 | 0 | 0 | |||
| BRD-K08533345 | 14 | 0 | 0 | |||
| BRD-K27194553 | 12 | 0 | 0 | |||
| BRD-K27889081 | 8 | 0 | 0 | |||
| BRD-K37848780 | 15 | 0 | 0 | |||
| BRD-K76551930 | 6 | 0 | 0 | |||
| Imidapril | 15 | 0 | 0 |
The top-15 ranked compounds predicted using semi-supervised learning with L1000 gene expression similarity or chemical structure similarity, or two by two methods that combine the predictions from the two sources, namely, weighted, and top rank, are listed together with whether these were previously known to belong to the X or D categories.