Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 9/20 | 0.53 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 3/20 | 0.38 |
| ▸ | CDK8 | P49336 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2433183 | 0.89 | COMT (0.67) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL6901113 | 0.89 | COMT (0.55) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL6899331 | 0.88 | COMT (0.69) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL6900457 | 0.87 | COMT (0.52) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL6901187 | 0.87 | COMT (0.53) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL22878679 | 0.86 | COMT (0.46) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL6901267 | 0.85 | COMT (0.68) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL14816273 | 0.84 | COMT (0.50) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL14815792 | 0.83 | COMT (0.54) | COMTNTSR1CYP11B1CYP11B2ERN1 | |
| SCHEMBL6901266 | 0.83 | COMT (0.50) | COMTNTSR1CYP11B1CYP11B2ERN1 |
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-2542076-B1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME (US) | 2021-01-13 | — | — | EP | disclosed |