Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 6/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | NLN | Q9BYT8 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29453783 | 1.00 | CYP46A1 (0.52) | CYP46A1CYP2C9CYP2C19MAPK14HTR2A | |
| SCHEMBL29453806 | 0.84 | CYP46A1 (0.56) | CYP46A1CYP2C9CYP2C19MAPK14HTR2A | |
| SCHEMBL22719343 | 0.84 | CYP46A1 (0.56) | CYP46A1CYP2C9CYP2C19MAPK14HTR2A | |
| SCHEMBL22719247 | 0.83 | CYP46A1 (0.54) | CYP46A1CYP2C9CYP2C19MAPK14HTR2A | |
| SCHEMBL29453734 | 0.83 | CYP46A1 (0.54) | CYP46A1CYP2C9CYP2C19MAPK14HTR2A | |
| SCHEMBL22719301 | 0.80 | CYP46A1 (0.56) | CYP46A1CYP2C9CYP2C19MAPK14ALDH1A1 | |
| SCHEMBL29453725 | 0.80 | CYP46A1 (0.56) | CYP46A1CYP2C9CYP2C19HPGDKDM4E | |
| SCHEMBL22719250 | 0.80 | CYP46A1 (0.56) | CYP46A1CYP2C9CYP2C19HPGDKDM4E | |
| SCHEMBL29453780 | 0.74 | HTR2A (0.51) | CYP46A1CYP2C9CYP2C19MAPK14HTR2A | |
| SCHEMBL22719231 | 0.73 | CYP46A1 (0.59) | CYP46A1CYP2C9CYP2C19HPGDKDM4E |
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 |