Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 12/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
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 | |
| SCHEMBL22728391 | 0.87 | CYP46A1 (0.58) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22728300 | 0.86 | CYP46A1 (0.79) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL29453740 | 0.86 | CYP46A1 (0.59) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22719467 | 0.86 | CYP46A1 (0.59) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22728311 | 0.84 | CYP46A1 (0.55) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22728412 | 0.83 | CYP46A1 (0.71) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22728283 | 0.79 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL22728337 | 0.79 | CYP46A1 (0.62) | CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL21215249 | 0.78 | CYP46A1 (0.76) | 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 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 |