Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851211 | 0.73 | TDP1 (0.41) | ALDH1A1L3MBTL1 | |
| SCHEMBL3714511 | 0.72 | KAT6A (0.35) | ALDH1A1 | |
| SCHEMBL2432111 | 0.71 | ALDH1A1 (0.47) | CYP2C9CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL21358384 | 0.70 | LMNA (0.36) | ALDH1A1L3MBTL1 | |
| SCHEMBL28127127 | 0.69 | ERN1 (0.38) | CYP3A4CYP2C9CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL3617240 | 0.69 | ALDH3A1 (0.40) | CYP3A4ALDH1A1 | |
| SCHEMBL28512785 | 0.68 | L3MBTL1 (0.36) | CYP3A4CYP2C9CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL6076943 | 0.68 | KDM4E (0.41) | PTGS2ALDH1A1 | |
| SCHEMBL31005975 | 0.68 | KDM4E (0.41) | PTGS2ALDH1A1L3MBTL1 | |
| SCHEMBL2600012 | 0.68 | KDM4E (0.41) | PTGS2ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010118208-A1 | BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |