Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 13/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.49 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.49 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7801562 | 1.00 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7808331 | 0.93 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7808274 | 0.93 | CYP3A4 (0.81) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7808276 | 0.93 | CYP3A4 (0.81) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7808333 | 0.93 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7808488 | 0.92 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7808485 | 0.92 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7810567 | 0.90 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7810564 | 0.90 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7810711 | 0.89 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0783501-B9 | PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY | URIACH & CIA SA J (ES) | 2001-07-25 | — | — | EP | disclosed |
| EP-0783501-B1 | PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY | URIACH & CIA SA J (ES) | 2001-01-10 | — | — | EP | disclosed |
| WO-1997005130-A1 | NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY | J. URIACH & CIA. S.A. (ES) | 1997-02-13 | — | — | WO | disclosed |