Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7139847 | 0.87 | PRKDC (0.41) | NPC1SMN1; SMN2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7700573 | 0.84 | ALDH1A1 (0.53) | SMN1; SMN2ALDH1A1CYP1A2KMT2AMEN1 | |
| SCHEMBL1026474 | 0.80 | ALDH1A1 (0.40) | NPC1SMN1; SMN2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7141765 | 0.75 | MAPK1 (0.39) | NPC1SMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL7141070 | 0.75 | PTPN11 (0.37) | NPC1SMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL4326786 | 0.75 | ALDH1A1 (0.70) | NPC1SMN1; SMN2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7140578 | 0.72 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1CYP1A2KMT2AMEN1 | |
| SCHEMBL7147119 | 0.72 | ABL1 (0.38) | NPC1ALDH1A1KMT2AMEN1HDAC3 | |
| SCHEMBL18039286 | 0.71 | HDAC1 (0.56) | NPC1SMN1; SMN2KMT2AMEN1PKM | |
| SCHEMBL29524026 | 0.71 | HDAC1 (0.56) | NPC1SMN1; SMN2KMT2AMEN1PKM |
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 |