Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7178760 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7091733 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7183478 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL5708289 | 0.86 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL2736273 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7301480 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL18531996 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7301247 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL2736207 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7301243 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 |
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-1509537-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003090690-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |