Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 5/20 | 0.47 |
| ▸ | PKLR | P30613 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | TEK | Q02763 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29453798 | 0.91 | CYP46A1 (0.59) | CYP46A1PKLRCYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719439 | 0.91 | CYP46A1 (0.59) | CYP46A1PKLRCYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719352 | 0.82 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL29453788 | 0.82 | CYP46A1 (0.61) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22728370 | 0.80 | CYP46A1 (0.44) | CYP46A1PKLRCYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453812 | 0.80 | CYP46A1 (0.57) | CYP46A1PKLRCYP3A4CYP2C19CYP2C8 | |
| SCHEMBL22719411 | 0.80 | CYP46A1 (0.57) | CYP46A1PKLRCYP3A4CYP2C19CYP2C8 | |
| SCHEMBL29453644 | 0.79 | CYP46A1 (0.55) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22719329 | 0.79 | CYP46A1 (0.55) | CYP46A1CYP3A4CYP2C19CYP2C8CYP2C9 | |
| SCHEMBL22719371 | 0.78 | CYP46A1 (0.55) | CYP46A1PKLRCYP3A4CYP2C19CYP2C8 |
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 |