Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | KCNK3 | O14649 | 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 | |
|---|---|---|---|---|
| SCHEMBL22719307 | 0.89 | CYP46A1 (0.56) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL29453694 | 0.89 | CYP46A1 (0.56) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL22728464 | 0.88 | CYP46A1 (0.45) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL22728495 | 0.84 | CYP46A1 (0.39) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL22728376 | 0.83 | CYP46A1 (0.44) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL22719474 | 0.82 | CYP46A1 (0.57) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL29453716 | 0.82 | CYP46A1 (0.57) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL22728370 | 0.81 | CYP46A1 (0.44) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL22728298 | 0.81 | CYP46A1 (0.43) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL22728368 | 0.81 | CYP46A1 (0.40) | CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8 |
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-2020243027-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |