Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 6/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1485203 | 0.79 | PIK3CD (0.49) | PIK3CDPIK3CAPIK3CG | |
| SCHEMBL1485485 | 0.78 | PIK3CD (0.43) | PIK3CDPIK3CAMAPK14KDM4EALDH1A1 | |
| SCHEMBL12696784 | 0.76 | CYP2C9 (0.47) | PIK3CDPIK3CAKDM4EALDH1A1NPC1 | |
| SCHEMBL12689121 | 0.74 | CYP2C9 (0.45) | PIK3CDPIK3CAKDM4EALDH1A1NPC1 | |
| SCHEMBL12690214 | 0.73 | PIK3CD (0.53) | PIK3CDPIK3CAPIK3CG | |
| SCHEMBL1485070 | 0.73 | MAP3K14 (0.61) | PIK3CDMAP3K14PIK3R1 | |
| SCHEMBL12538691 | 0.72 | PIK3CD (0.71) | PIK3CDPIK3CAPIK3CG | |
| SCHEMBL11967469 | 0.72 | PIK3CA (0.50) | PIK3CDPIK3CAPIK3CG | |
| SCHEMBL11967471 | 0.72 | PIK3CA (0.54) | PIK3CDPIK3CAPIK3CG | |
| SCHEMBL1485079 | 0.72 | MAP3K14 (0.43) | PIK3CDPIK3CACYP2C9MAP3K14PIK3R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2483278-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011036280-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |