Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 7/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 7/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.40 |
| ▸ | MAP3K14 | Q99558 | 8/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19594443 | 0.91 | CYP2C9 (0.44) | CYP2C9PIK3CAMAP3K14ALDH1A1LMNA | |
| SCHEMBL12696782 | 0.89 | CYP2C9 (0.45) | CYP2C9PIK3CAPIK3CBPIK3CGPIK3CD | |
| SCHEMBL1485084 | 0.84 | CYP2C9 (0.45) | CYP2C9PIK3CAPIK3CBPIK3CGPIK3CD | |
| SCHEMBL12696784 | 0.79 | CYP2C9 (0.47) | CYP2C9PIK3CAPIK3CDMAP3K14ALDH1A1 | |
| SCHEMBL12689121 | 0.77 | CYP2C9 (0.45) | CYP2C9PIK3CAPIK3CDMAP3K14ALDH1A1 | |
| SCHEMBL1485288 | 0.77 | CYP2C9 (0.47) | CYP2C9PIK3CDALDH1A1LMNATSHR | |
| SCHEMBL1485070 | 0.76 | MAP3K14 (0.61) | PIK3CDMAP3K14 | |
| SCHEMBL1485555 | 0.75 | CYP2C9 (0.43) | CYP2C9PIK3CAALDH1A1LMNATSHR | |
| SCHEMBL1485079 | 0.75 | MAP3K14 (0.43) | CYP2C9PIK3CAPIK3CDMAP3K14 | |
| SCHEMBL18631856 | 0.74 | CYP2C9 (0.42) | CYP2C9PIK3CAALDH1A1LMNATSHR |
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 |