Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5868974 | 0.88 | CYP3A4 (0.55) | CYP3A4GRM2RAB9ASMN1; SMN2 | |
| SCHEMBL5869071 | 0.85 | CYP3A4 (0.56) | CYP3A4GRM2RAB9ASMN1; SMN2 | |
| SCHEMBL5869000 | 0.83 | CYP3A4 (0.51) | CYP3A4NPC1GRM2RAB9ASMN1; SMN2 | |
| SCHEMBL5563880 | 0.78 | CYP3A4 (0.69) | CYP3A4GRM2 | |
| SCHEMBL5868932 | 0.76 | GRM2 (0.50) | CYP3A4GRM2RAB9ASMN1; SMN2 | |
| SCHEMBL2319292 | 0.76 | CYP3A4 (0.66) | CYP3A4RAB9ASMN1; SMN2 | |
| SCHEMBL5558069 | 0.75 | CYP3A4 (0.66) | CYP3A4GRM2 | |
| SCHEMBL5557822 | 0.75 | GRM2 (0.69) | CYP3A4GRM2 | |
| SCHEMBL5557011 | 0.75 | CYP3A4 (0.65) | CYP3A4GRM2RAB9ASMN1; SMN2 | |
| SCHEMBL6477792 | 0.75 | CYP3A4 (0.65) | CYP3A4GRM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1224175-B1 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2004-03-17 | — | — | EP | claimed |