Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 10/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.59 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22719409 | 1.00 | CYP46A1 (0.59) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453703 | 0.93 | CYP46A1 (0.59) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719303 | 0.93 | CYP46A1 (0.59) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719455 | 0.90 | CYP46A1 (0.62) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453641 | 0.90 | CYP46A1 (0.62) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL24710206 | 0.89 | CYP46A1 (0.59) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453696 | 0.89 | CYP46A1 (0.57) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719148 | 0.89 | CYP46A1 (0.57) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719476 | 0.89 | CYP46A1 (0.74) | CYP46A1CYP2C9CYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453767 | 0.89 | CYP46A1 (0.74) | 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 |