Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 10/20 | 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 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29453746 | 1.00 | CYP46A1 (0.60) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719450 | 1.00 | CYP46A1 (0.60) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719407 | 1.00 | CYP46A1 (0.60) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719382 | 1.00 | CYP46A1 (0.60) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719357 | 0.95 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453666 | 0.95 | CYP46A1 (0.64) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL24710121 | 0.87 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL30001242 | 0.87 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719440 | 0.87 | CYP46A1 (0.76) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719288 | 0.86 | CYP46A1 (0.64) | 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 |