Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7139788 | 0.80 | ATR (0.39) | ATRKDM4EMAPTMAPK1ALDH1A1 | |
| SCHEMBL27214479 | 0.78 | ATR (0.42) | CFTRATRKDM4EAAK1GAA | |
| SCHEMBL31554221 | 0.77 | AAK1 (0.41) | CFTRATRKDM4EAAK1GAA | |
| SCHEMBL24162849 | 0.77 | ATR (0.43) | CFTRATRKDM4EGAAMAPT | |
| SCHEMBL7139941 | 0.75 | ATR (0.38) | CFTRATRKDM4EGAAMAPT | |
| SCHEMBL4212736 | 0.75 | CA12 (0.41) | AAK1RXFP1CISD2 | |
| SCHEMBL17822878 | 0.75 | ATR (0.47) | ATRKDM4EGAAALDH1A1RXFP1 | |
| SCHEMBL6163196 | 0.75 | GAA (0.49) | CFTRATRKDM4EGAAMAPT | |
| SCHEMBL4516629 | 0.75 | MAPT (0.55) | KDM4EAAK1GAAMAPTMAPK1 | |
| SCHEMBL6438753 | 0.74 | AAK1 (0.36) | AAK1 |
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 |