Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 16/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 16/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 10/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141267 | 0.87 | HDAC3 (0.37) | HDAC1HDAC2HDAC3AAK1CHRM3 | |
| SCHEMBL7139585 | 0.86 | MMP8 (0.35) | HDAC1HDAC2HDAC3CHRM3 | |
| SCHEMBL7139872 | 0.85 | HDAC1 (0.39) | HDAC1HDAC2HDAC3AAK1 | |
| SCHEMBL5558536 | 0.83 | CFTR (0.40) | HDAC1HDAC2HDAC3AAK1 | |
| SCHEMBL7143284 | 0.82 | HDAC2 (0.40) | HDAC1HDAC2HDAC3CHRM3 | |
| SCHEMBL7145608 | 0.81 | HDAC2 (0.42) | HDAC1HDAC2HDAC3CHRM3 | |
| SCHEMBL7145154 | 0.79 | HDAC2 (0.42) | HDAC1HDAC2HDAC3CHRM3 | |
| SCHEMBL7703597 | 0.79 | HDAC2 (0.42) | HDAC1HDAC2HDAC3CHRM3 | |
| SCHEMBL7139841 | 0.78 | HDAC3 (0.38) | HDAC1HDAC2HDAC3AAK1 | |
| SCHEMBL7145888 | 0.77 | KCNQ4 (0.44) | HDAC1HDAC2HDAC3AAK1 |
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-1224174-B1 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2003-09-17 | — | — | EP | disclosed |
| EP-1224174-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | 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 |
| WO-2001029011-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |