Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL22719411 | 0.90 | CYP46A1 (0.57) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL29453812 | 0.90 | CYP46A1 (0.57) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728495 | 0.87 | CYP46A1 (0.39) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728298 | 0.83 | CYP46A1 (0.43) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728368 | 0.82 | CYP46A1 (0.40) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728374 | 0.81 | CYP46A1 (0.43) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22719206 | 0.81 | CYP46A1 (0.60) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL29453726 | 0.81 | CYP46A1 (0.60) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728323 | 0.80 | CYP46A1 (0.47) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22719439 | 0.79 | CYP46A1 (0.59) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020243027-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |