Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.38 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3395916 | 0.83 | CYP2C9 (0.65) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL3396100 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL3397837 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2845115 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2845478 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL3395238 | 0.81 | CYP2C9 (0.64) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2300601 | 0.80 | CYP2C9 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2838542 | 0.80 | ANO1 (0.41) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL3398826 | 0.80 | CYP2C9 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL16509760 | 0.80 | CYP2C9 (0.59) | CYP3A4CYP2C9CYP2C19KCNH2 |
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-2245023-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009101022-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-20 | — | — | WO | disclosed |