Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 11/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | 1.00 | CYP46A1 (0.56) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719474 | 0.94 | CYP46A1 (0.57) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453716 | 0.94 | CYP46A1 (0.57) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719457 | 0.91 | CYP3A4 (0.53) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453789 | 0.91 | CYP3A4 (0.53) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719303 | 0.91 | CYP46A1 (0.59) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453703 | 0.91 | CYP46A1 (0.59) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719246 | 0.90 | CYP46A1 (0.54) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453683 | 0.90 | CYP46A1 (0.54) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22728374 | 0.89 | CYP46A1 (0.43) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 |
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 |