Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 16/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.34 |
| ▸ | USP2 | O75604 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9851612 | 0.81 | CYP2D6 (0.35) | CYP2D6SMN1; SMN2CYP3A4USP2CYP1A2 | |
| SCHEMBL24138111 | 0.81 | CYP2D6 (0.46) | CYP2D6SMN1; SMN2CYP3A4PIK3CDTSHR | |
| SCHEMBL9851573 | 0.80 | KDM4E (0.37) | TSHR | |
| SCHEMBL9851577 | 0.77 | KDM4E (0.40) | — | |
| SCHEMBL16941601 | 0.77 | PIK3CD (0.38) | CYP2D6SMN1; SMN2USP2CYP1A2PIK3CD | |
| SCHEMBL22308322 | 0.77 | CYP2D6 (0.39) | CYP2D6SMN1; SMN2CYP3A4USP2CYP1A2 | |
| SCHEMBL11972009 | 0.75 | CYP2D6 (0.38) | CYP2D6SMN1; SMN2CYP3A4USP2CYP1A2 | |
| SCHEMBL5567057 | 0.73 | CYP2D6 (0.39) | CYP2D6SMN1; SMN2CYP3A4USP2CYP1A2 | |
| SCHEMBL3419594 | 0.72 | CYP2D6 (0.45) | CYP2D6SMN1; SMN2CYP3A4PIK3CDTSHR | |
| SCHEMBL25588793 | 0.72 | PIK3CD (0.32) | CYP2D6SMN1; SMN2PIK3CD |
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 |