Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7145419 | 0.87 | MMP1 (0.39) | NPC1RAB9AALDH1A1MAPK1HTT | |
| SCHEMBL7700537 | 0.85 | MAPT (0.46) | NPC1RAB9AALDH1A1MAPK1MAPT | |
| SCHEMBL7704609 | 0.83 | KDM4E (0.43) | NPC1RAB9AALDH1A1MAPK1HTT | |
| SCHEMBL7698657 | 0.79 | MAPT (0.49) | NPC1RAB9AALDH1A1MAPK1HTT | |
| SCHEMBL6608481 | 0.77 | CXCR2 (0.43) | NPC1RAB9AALDH1A1HTTMAPT | |
| SCHEMBL7141612 | 0.77 | PKM (0.43) | ALDH1A1HTTMAPTSMN1; SMN2MEN1 | |
| SCHEMBL1694595 | 0.76 | MAPT (0.49) | NPC1RAB9AALDH1A1MAPK1HTT | |
| SCHEMBL27498855 | 0.75 | MEN1 (0.34) | ALDH1A1HTTMAPTMEN1KMT2A | |
| SCHEMBL7698485 | 0.75 | MEN1 (0.40) | NPC1RAB9AALDH1A1MAPK1HTT | |
| SCHEMBL7698574 | 0.74 | NPC1 (0.49) | NPC1RAB9AALDH1A1MAPK1MAPT |
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-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029011-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |