Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.51 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7574054 | 0.90 | CYP3A4 (0.56) | CYP3A4GRM2GRM3 | |
| SCHEMBL6166233 | 0.88 | GRM2 (0.49) | CYP3A4GRM2GRM3 | |
| SCHEMBL6164939 | 0.85 | CYP3A4 (0.51) | CYP3A4GRM2GRM3 | |
| SCHEMBL6162593 | 0.84 | CYP3A4 (0.51) | CYP3A4GRM2GRM3 | |
| SCHEMBL6167304 | 0.82 | CYP3A4 (0.58) | CYP3A4GRM2GRM3 | |
| SCHEMBL6164633 | 0.82 | CYP3A4 (0.50) | CYP3A4GRM2GRM3 | |
| SCHEMBL5563737 | 0.81 | GRM2 (0.63) | CYP3A4GRM2 | |
| SCHEMBL6167350 | 0.81 | CYP3A4 (0.51) | CYP3A4GRM2GRM3 | |
| SCHEMBL6162628 | 0.80 | CYP3A4 (0.52) | CYP3A4GRM2GRM3 | |
| SCHEMBL6167284 | 0.80 | CYP3A4 (0.51) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379511-B1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | HOFFMANN LA ROCHE (CH) | 2005-07-20 | — | — | EP | disclosed |
| EP-1379511-A1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6544985-B2 | For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits | HOFFMAN-LA ROCHE INC. | 2003-04-08 | — | — | US | disclosed |
| WO-2002083652-A1 | DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |