Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 11/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SPR | P35270 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22719461 | 1.00 | CYP46A1 (0.60) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453681 | 0.92 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719186 | 0.92 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719400 | 0.91 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453698 | 0.91 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719321 | 0.90 | CYP46A1 (0.56) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453670 | 0.90 | CYP46A1 (0.56) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719174 | 0.90 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453762 | 0.90 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719278 | 0.89 | CYP46A1 (0.57) | 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 |