Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GPR6 | P46095 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29453757 | 1.00 | CYP46A1 (0.50) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719362 | 1.00 | CYP46A1 (0.50) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719266 | 1.00 | CYP46A1 (0.50) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719483 | 1.00 | CYP46A1 (0.50) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL29453705 | 0.91 | CYP46A1 (0.47) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719194 | 0.91 | CYP46A1 (0.47) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL29453678 | 0.91 | CYP46A1 (0.47) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719393 | 0.91 | CYP46A1 (0.47) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719410 | 0.91 | CYP46A1 (0.47) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22719217 | 0.90 | CYP46A1 (0.51) | CYP46A1KDM4ECYP3A4CYP2C8CYP2C9 |
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 |