Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | TYK2 | P29597 | 1/20 | 0.30 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22719129 | 0.90 | CYP46A1 (0.51) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL29453737 | 0.90 | CYP46A1 (0.51) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22728370 | 0.87 | CYP46A1 (0.44) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22728298 | 0.85 | CYP46A1 (0.43) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22728368 | 0.84 | CYP46A1 (0.40) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22728374 | 0.84 | CYP46A1 (0.43) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22719245 | 0.84 | CYP46A1 (0.51) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL29453676 | 0.84 | CYP46A1 (0.51) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL22719456 | 0.80 | CYP46A1 (0.53) | CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19 | |
| SCHEMBL29453672 | 0.80 | CYP46A1 (0.53) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020243027-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |