Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 1/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.33 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.33 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7699272 | 0.88 | GAA (0.39) | HDAC1HDAC3HDAC2 | |
| SCHEMBL7140278 | 0.88 | PTGES (0.36) | PTGESCNR2HDAC1HDAC3HDAC2 | |
| SCHEMBL7143096 | 0.85 | PTGES (0.37) | PTGESCNR2HDAC1PTPN11AAK1 | |
| SCHEMBL7145475 | 0.85 | CTSS (0.38) | PTGESPTPN11AAK1 | |
| SCHEMBL7140608 | 0.82 | BRD9 (0.40) | PTGESCNR2PTPN11RXFP1BRD9 | |
| SCHEMBL7138113 | 0.81 | HSP90AA1 (0.40) | PTGESCNR2PTPN11RXFP1BRD9 | |
| SCHEMBL7139841 | 0.81 | HDAC3 (0.38) | PTGESHDAC1HDAC3HDAC2AAK1 | |
| SCHEMBL7145926 | 0.80 | AAK1 (0.41) | PTGESPTPN11AAK1BRD9 | |
| SCHEMBL7141263 | 0.80 | PTGDR2 (0.41) | PTGESHDAC1PTPN11AAK1 | |
| SCHEMBL6164480 | 0.79 | PTPN11 (0.39) | PTGESCNR2HDAC1PTPN11AAK1 |
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 |