Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 17/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 9/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 8/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | PIK3R2 | O00459 | 3/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12696784 | 0.91 | CYP2C9 (0.47) | PIK3CACYP2C9PIK3CD | |
| SCHEMBL1485259 | 0.89 | PIK3CA (0.49) | PIK3CACYP2C9PIK3CGPIK3CDROCK2 | |
| SCHEMBL1485125 | 0.87 | MAP3K14 (0.53) | PIK3CD | |
| SCHEMBL29225274 | 0.86 | PIK3CA (0.47) | PIK3CACYP2C9PIK3CGPIK3CD | |
| SCHEMBL1485106 | 0.86 | PIK3CA (0.47) | PIK3CACYP2C9PIK3CGPIK3CDROCK2 | |
| SCHEMBL30463659 | 0.86 | PIK3CA (0.47) | PIK3CACYP2C9PIK3CGPIK3CD | |
| SCHEMBL11967471 | 0.82 | PIK3CA (0.54) | PIK3CAPIK3CGPIK3CD | |
| SCHEMBL11967469 | 0.82 | PIK3CA (0.50) | PIK3CAPIK3CGPIK3CD | |
| SCHEMBL1485264 | 0.81 | ROCK2 (0.46) | PIK3CACYP2C9PIK3CGPIK3CDROCK2 | |
| SCHEMBL12611663 | 0.81 | PIK3CA (0.43) | PIK3CACYP2C9PIK3CGPIK3CDROCK2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2688891-B1 | BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2017-11-15 | — | — | EP | disclosed |