Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 0.55 |
| ▸ | ABCC1 | P33527 | 9/20 | 0.55 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.55 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25214665 | 0.87 | ABCC1 (0.55) | ABCB1ABCC1KCNMA1ALDH1A1MAPT | |
| SCHEMBL17457463 | 0.87 | ABCB1 (0.69) | ABCB1ABCC1KCNMA1ALDH1A1MAPT | |
| SCHEMBL17457465 | 0.87 | ABCB1 (0.69) | ABCB1ABCC1KCNMA1ALDH1A1MAPT | |
| SCHEMBL1266702 | 0.84 | KCNMA1 (0.62) | KCNMA1ALDH1A1MAPTHCAR3 | |
| SCHEMBL1266704 | 0.84 | KCNMA1 (0.62) | KCNMA1ALDH1A1MAPTHCAR3 | |
| SCHEMBL5868997 | 0.82 | ABCB1 (0.49) | ABCB1ABCC1KCNMA1DHODHALDH1A1 | |
| SCHEMBL7464046 | 0.81 | MAPT (0.49) | ABCB1ABCC1KCNMA1ALDH1A1MAPT | |
| SCHEMBL7466534 | 0.79 | ABCB1 (0.64) | ABCB1ABCC1KCNMA1MAPT | |
| SCHEMBL5195739 | 0.79 | DCLRE1B (0.56) | ABCB1KCNMA1DHODHFBP1 | |
| SCHEMBL28045348 | 0.78 | TDP1 (0.52) | FBP1MAPT |
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-1224175-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029012-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |