Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.40 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BDKRB1 | P46663 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | PTH1R | Q03431 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL5324581 | 0.88 | CES2 (0.41) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5324527 | 0.88 | CES2 (0.41) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5321802 | 0.88 | CES2 (0.41) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5320501 | 0.88 | CES2 (0.41) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5325094 | 0.88 | CES2 (0.41) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5322846 | 0.85 | PTH1R (0.38) | ERBB2ALDH1A1CES2GAAHPGD | |
| SCHEMBL5321156 | 0.84 | CYP2D6 (0.39) | ALDH1A1SMN1; SMN2CYP2C19CES2GAA | |
| SCHEMBL5321151 | 0.84 | CYP2D6 (0.39) | ALDH1A1SMN1; SMN2CYP2C19CES2GAA | |
| SCHEMBL5324889 | 0.84 | OPRL1 (0.46) | CHRM3CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL5349862 | 0.83 | L3MBTL3 (0.46) | MBTD1L3MBTL3L3MBTL1ALDH1A1SMN1; SMN2 |
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-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |