Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22719385 | 1.00 | CYP46A1 (0.58) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22719355 | 0.90 | CYP46A1 (0.52) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL29453689 | 0.90 | CYP46A1 (0.52) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL29453695 | 0.90 | CYP46A1 (0.52) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22719448 | 0.90 | CYP46A1 (0.52) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22719149 | 0.86 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL29453659 | 0.86 | CYP46A1 (0.59) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22719241 | 0.86 | CYP46A1 (0.59) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22719440 | 0.85 | CYP46A1 (0.76) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22719363 | 0.85 | CYP46A1 (0.58) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 |
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 |