Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ADH5 | P11766 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141292 | 0.93 | MAPT (0.36) | CYP3A4CYP2D6PORCNKCNH2CACNA1C | |
| SCHEMBL7704777 | 0.89 | ALDH1A1 (0.39) | CYP3A4CYP2D6PORCNMAPTNR3C2 | |
| SCHEMBL7146199 | 0.83 | ALDH1A1 (0.38) | CYP3A4CYP2D6PORCNKCNH2CACNA1C | |
| SCHEMBL7702841 | 0.81 | VCP (0.42) | — | |
| SCHEMBL5869084 | 0.81 | CYP17A1 (0.40) | CYP3A4CYP2D6PORCNKCNH2CACNA1C | |
| SCHEMBL7699016 | 0.81 | ALDH1A1 (0.44) | MAPTALDH1A1SMN1; SMN2TP53TSHR | |
| SCHEMBL7705335 | 0.80 | ALDH1A1 (0.44) | CYP3A4CYP2D6PORCNMAPTALDH1A1 | |
| SCHEMBL7139867 | 0.79 | KEAP1 (0.35) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL7139934 | 0.79 | ABL1 (0.41) | GPR142ADH5L3MBTL1 | |
| SCHEMBL5868965 | 0.78 | NR3C2 (0.37) | CYP3A4CYP2D6PORCNKCNH2CACNA1C |
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 |