Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.36 |
| ▸ | POLQ | O75417 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL7138096 | 0.88 | AAK1 (0.43) | AAK1ABCB1ABCC1SMN1; SMN2CYP1A2 | |
| SCHEMBL7143512 | 0.85 | AAK1 (0.45) | AAK1ABCB1ABCC1SMN1; SMN2HDAC1 | |
| SCHEMBL7138568 | 0.83 | ABCB1 (0.41) | ABCB1ABCC1MAPTKMT2AALDH1A1 | |
| SCHEMBL7143058 | 0.82 | AAK1 (0.44) | AAK1ABCB1ABCC1SMN1; SMN2HDAC1 | |
| SCHEMBL7141564 | 0.81 | HDAC2 (0.45) | AAK1HDAC1KCNQ4KCNQ5HDAC2 | |
| SCHEMBL7147120 | 0.79 | AAK1 (0.37) | AAK1HDAC1MAPTKMT2AKCNQ4 | |
| SCHEMBL25380050 | 0.79 | AAK1 (0.47) | AAK1ABCB1ABCC1ALDH1A1PIK3CD | |
| SCHEMBL6313426 | 0.78 | RXFP1 (0.44) | MAPTKMT2AALDH1A1KCNQ4KCNQ5 | |
| SCHEMBL826795 | 0.77 | HDAC1 (0.50) | AAK1HDAC1KCNQ4KCNQ5HDAC2 | |
| SCHEMBL197145 | 0.77 | HDAC1 (0.55) | AAK1HDAC1KCNQ4KCNQ5HDAC2 |
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 |