Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 20/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL4590960 | 1.00 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4591299 | 0.94 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4590320 | 0.94 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4987563 | 0.89 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4591365 | 0.88 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4987373 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4591169 | 0.86 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4591449 | 0.84 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4591485 | 0.84 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4591614 | 0.84 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1879891-A1 | MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY | Nycomed GmbH (DE) | 2008-01-23 | — | — | EP | claimed |
| WO-2006117315-A1 | MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY | NYCOMED GMBH (DE) | 2006-11-09 | — | — | WO | claimed |