Table 1.
Typical schematic for the selection of study ligands with similar pattern to reference ligands in human targets.
| Target | Percentage of predicted probability on target |
||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Reference ligands |
Study ligands |
||||||||||
| R1 | R2 | R3 | R4 | R5 | S1 | S2 | S3 | S4 | S5 | S6 | |
| Enzyme 1 | **** | **** | ** | **** | ******** | ||||||
| Receptor 1 | *** | ***** | ******** | * | ** | ||||||
| Enzyme 2 | *** | *** | ** | *** | ** | ||||||
| Enzyme 3 | ** | ** | *** | *** | *** | ******* | **** | ** | |||
| Enzyme 4 | *** | * | ** | *** | **** | ||||||
| Receptor 2 | **** | * | ** | *** | |||||||
| Receptor 3 | ** | ** | |||||||||
| Enzyme 5 | * | **** | |||||||||
| Enzyme 6 | **** | ||||||||||
Each *was assumed to be 10% probability on target from SwissTargetPrediction. Study ligands considered were within ±10% match with any of the reference ligands. In this scheme, S2 and S6 will be discarded from further analysis due to excessive probability and lack of match to any of the reference ligands, respectively.