Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6434084 | 0.83 | SMN1; SMN2 (0.49) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2NPSR1 | |
| SCHEMBL2654219 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL1665801 | 0.79 | MAPT (0.46) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL3496332 | 0.78 | SMN1; SMN2 (0.66) | ALDH1A1SMN1; SMN2MAPTRAB9AMAPK1 | |
| SCHEMBL3496338 | 0.78 | SMN1; SMN2 (0.66) | ALDH1A1SMN1; SMN2MAPTRAB9AMAPK1 | |
| SCHEMBL5393497 | 0.77 | GAA (0.45) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL16029979 | 0.76 | MAPT (0.41) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL8787027 | 0.75 | CYP3A4 (0.48) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL169638 | 0.75 | MAPT (0.66) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL29608478 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1268626-C | Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I | HOFFMANN LA ROCHE (CH) | 2006-08-09 | — | — | CN | disclosed |
| CN-1522252-A | Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I | - | 2004-08-18 | — | — | CN | disclosed |
| 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 |