Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 7/20 | 0.54 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | FRK | P42685 | 1/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22719126 | 1.00 | CYP46A1 (0.54) | CYP46A1PROKR1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL29453755 | 0.92 | CYP46A1 (0.56) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719423 | 0.92 | CYP46A1 (0.56) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719291 | 0.90 | CYP46A1 (0.54) | CYP46A1PROKR1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL29453662 | 0.90 | CYP46A1 (0.54) | CYP46A1PROKR1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719419 | 0.89 | CYP46A1 (0.52) | CYP46A1PROKR1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL29453782 | 0.89 | CYP46A1 (0.52) | CYP46A1PROKR1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719220 | 0.89 | CYP46A1 (0.53) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453730 | 0.89 | CYP46A1 (0.53) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719375 | 0.89 | CYP46A1 (0.56) | 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 |