Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 14/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 13/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | GYS1 | P13807 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2361921 | 1.00 | HCRTR2 (0.36) | HCRTR2HCRTR1CYP3A4PDK2GYS1 | |
| SCHEMBL11888716 | 1.00 | HCRTR2 (0.36) | HCRTR2HCRTR1CYP3A4PDK2GYS1 | |
| SCHEMBL2354400 | 0.87 | GYS1 (0.41) | HCRTR2HCRTR1CYP3A4GYS1F2 | |
| SCHEMBL2364358 | 0.87 | GYS1 (0.41) | HCRTR2HCRTR1CYP3A4GYS1F2 | |
| SCHEMBL2364234 | 0.84 | ADRA1A (0.37) | HCRTR2HCRTR1CYP3A4GYS1 | |
| SCHEMBL2364233 | 0.84 | ADRA1A (0.37) | HCRTR2HCRTR1CYP3A4GYS1 | |
| SCHEMBL3314212 | 0.81 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL2363467 | 0.80 | CYP3A4 (0.43) | CYP3A4 | |
| SCHEMBL2353888 | 0.78 | ACHE (0.41) | CYP3A4 | |
| SCHEMBL2347996 | 0.78 | HCRTR1 (0.38) | HCRTR2HCRTR1PDK2GYS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8232271-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-07-31 | — | — | US | claimed |
| EP-2350007-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | claimed |
| WO-2010049331-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-06 | — | — | WO | claimed |