Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.48 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4554318 | 0.95 | CYP3A4 (0.49) | CYP3A4GRM2GRM3 | |
| SCHEMBL2319166 | 0.93 | CYP3A4 (0.53) | CYP3A4GRM2GRM3 | |
| SCHEMBL2318944 | 0.87 | CYP3A4 (0.52) | CYP3A4GRM2GRM3 | |
| SCHEMBL2322977 | 0.85 | CYP3A4 (0.50) | CYP3A4GRM2GRM3 | |
| SCHEMBL2318274 | 0.82 | CYP3A4 (0.56) | CYP3A4GRM2GRM3 | |
| SCHEMBL2318475 | 0.82 | CYP3A4 (0.55) | CYP3A4GRM2GRM3 | |
| SCHEMBL2318291 | 0.82 | GRM2 (0.72) | CYP3A4GRM2GRM3 | |
| SCHEMBL2318752 | 0.80 | CYP3A4 (0.49) | CYP3A4GRM2GRM3 | |
| SCHEMBL2315625 | 0.79 | GRM2 (0.67) | CYP3A4GRM2GRM3 | |
| SCHEMBL6478448 | 0.79 | CYP3A4 (0.71) | CYP3A4GRM2 |
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-2137167-A1 | DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008128889-A1 | DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-30 | — | — | WO | disclosed |