Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.76 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.76 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL5562179 | 0.93 | CYP3A4 (0.76) | CYP3A4GRM2GRM3 | |
| SCHEMBL6477335 | 0.92 | CYP3A4 (0.65) | CYP3A4GRM2GRM3 | |
| SCHEMBL5563807 | 0.91 | CYP3A4 (0.71) | CYP3A4GRM2GRM3 | |
| SCHEMBL5562647 | 0.89 | GRM2 (0.67) | CYP3A4GRM2GRM3 | |
| SCHEMBL5562753 | 0.89 | GRM2 (0.77) | CYP3A4GRM2GRM3 | |
| SCHEMBL5564880 | 0.88 | CYP3A4 (0.81) | CYP3A4GRM2GRM3 | |
| SCHEMBL5557686 | 0.87 | CYP3A4 (1.00) | CYP3A4GRM2GRM3 | |
| SCHEMBL6479243 | 0.85 | GRM2 (0.66) | CYP3A4GRM2GRM3 | |
| SCHEMBL5564218 | 0.85 | CYP3A4 (0.79) | CYP3A4GRM2GRM3 | |
| SCHEMBL5563429 | 0.85 | CYP3A4 (0.76) | CYP3A4GRM2GRM3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6949542-B2 | Dihydro-benzo[b][1,4]diazepin-2-one derivatives | HOFFMAN-LA ROCHE INC. (US) | 2005-09-27 | — | — | US | disclosed |