Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 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 | |
|---|---|---|---|---|
| SCHEMBL9851853 | 0.93 | CYP3A4 (0.61) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9851650 | 0.92 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9851624 | 0.92 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9851636 | 0.91 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9851561 | 0.90 | CYP3A4 (0.60) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9851647 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9596234 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9851579 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9851639 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9851620 | 0.83 | CYP2D6 (0.56) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9 |
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-0417631-A2 | Condensed diazepinones, process for their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1991-03-20 | — | — | EP | disclosed |