Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377687 | 0.81 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19SLC5A2 | |
| SCHEMBL5368877 | 0.80 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19SLC5A2DAO | |
| SCHEMBL5370974 | 0.80 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19SLC5A2DAO | |
| SCHEMBL4278760 | 0.80 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19SLC5A2 | |
| SCHEMBL5374165 | 0.79 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19SLC5A2 | |
| SCHEMBL5368683 | 0.79 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19SLC5A2DAO | |
| SCHEMBL4268874 | 0.79 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19SLC5A2DAO | |
| SCHEMBL5373905 | 0.77 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19SLC5A2DAO | |
| SCHEMBL5376896 | 0.76 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19SLC5A2 | |
| SCHEMBL5364607 | 0.76 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19SLC5A2DAO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1737827-A1 | PROCESS FOR PREPARING PYRIDAZINONE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-01-03 | — | — | EP | disclosed |
| EP-1608629-A1 | BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-28 | — | — | EP | disclosed |
| WO-2005100323-A1 | PROCESS FOR PREPARING PYRIDAZINONE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-27 | — | — | WO | disclosed |
| WO-2004085406-A1 | BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-07 | — | — | WO | disclosed |