Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 11/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22728305 | 0.88 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453782 | 0.87 | CYP46A1 (0.52) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719419 | 0.87 | CYP46A1 (0.52) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22728286 | 0.84 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL14840782 | 0.81 | CYP46A1 (0.68) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22728283 | 0.81 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22728300 | 0.80 | CYP46A1 (0.79) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719246 | 0.78 | CYP46A1 (0.54) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453683 | 0.78 | CYP46A1 (0.54) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL14848975 | 0.78 | CYP46A1 (0.74) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022261510-A1 | NEUROACTIVE STEROID FOR THE TREATMENT OF ALZHEIMER'S DISEASE | SAGE THERAPEUTICS, INC. (US) | 2022-12-15 | — | — | WO | disclosed |
| WO-2020243027-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |