Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 13/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.81 |
| ▸ | TSHR | P16473 | 6/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | USP2 | O75604 | 2/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL23968815 | 0.91 | CYP2D6 (0.87) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL4692167 | 0.84 | CYP2D6 (0.70) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL21262272 | 0.82 | CYP2D6 (0.60) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL5243003 | 0.81 | CYP2D6 (0.67) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL2381838 | 0.81 | CYP2D6 (0.67) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL9851609 | 0.80 | CYP2D6 (0.58) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL9851556 | 0.80 | CYP2D6 (0.58) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL1732446 | 0.80 | CYP2D6 (0.65) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL23642168 | 0.80 | CYP2D6 (0.65) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL23642169 | 0.80 | CYP2D6 (0.65) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 |
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 |