Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 8/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22719175 | 1.00 | CYP46A1 (0.59) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719248 | 0.89 | CYP46A1 (0.57) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453661 | 0.89 | CYP46A1 (0.57) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453788 | 0.89 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453714 | 0.89 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719147 | 0.89 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719352 | 0.89 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719174 | 0.88 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453762 | 0.88 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719357 | 0.88 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 |
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-3976186-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | Sage Therapeutics, Inc. (US) | 2022-04-06 | — | — | EP | disclosed |