Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 16/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.79 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22728412 | 0.95 | CYP46A1 (0.71) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| Soticlestat SCHEMBL14841089 | 0.88 | CYP46A1 (1.00) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| Soticlestat SCHEMBL29469585 | 0.88 | CYP46A1 (1.00) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728283 | 0.88 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728337 | 0.88 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| Soticlestat SCHEMBL31653945 | 0.87 | CYP46A1 (0.98) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| Soticlestat SCHEMBL20473188 | 0.87 | CYP46A1 (0.98) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728286 | 0.86 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728305 | 0.86 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22719476 | 0.85 | CYP46A1 (0.74) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 |
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 |