Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL7139601 | 0.90 | CYP3A4 (0.70) | CYP3A4GRM2 | |
| SCHEMBL7140064 | 0.87 | CYP3A4 (0.69) | CYP3A4GRM2 | |
| SCHEMBL7138147 | 0.87 | CYP3A4 (0.79) | CYP3A4GRM2 | |
| SCHEMBL7147262 | 0.85 | CYP3A4 (0.69) | CYP3A4GRM2 | |
| SCHEMBL7142053 | 0.85 | GRM2 (0.85) | CYP3A4GRM2 | |
| SCHEMBL7146365 | 0.83 | GRM2 (0.70) | CYP3A4GRM2 | |
| SCHEMBL7145989 | 0.83 | GRM2 (0.72) | CYP3A4GRM2 | |
| SCHEMBL5868807 | 0.82 | GRM2 (0.83) | CYP3A4GRM2 | |
| SCHEMBL7140117 | 0.82 | GRM2 (0.68) | CYP3A4GRM2 | |
| SCHEMBL7143207 | 0.81 | GRM2 (0.67) | 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-1224174-B1 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2003-09-17 | — | — | EP | disclosed |
| US-6407094-B1 | 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA | HOFFMANN-LA ROCHE INC. | 2002-06-18 | — | — | US | disclosed |