Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 9/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL6901910 | 0.87 | COMT (0.67) | COMTNPC1 | |
| SCHEMBL6901816 | 0.83 | COMT (1.00) | COMT | |
| SCHEMBL6901286 | 0.82 | COMT (0.65) | COMT | |
| SCHEMBL14816339 | 0.79 | COMT (0.69) | COMT | |
| SCHEMBL6900191 | 0.77 | COMT (0.65) | COMT | |
| SCHEMBL6901891 | 0.77 | COMT (0.65) | COMT | |
| SCHEMBL6900953 | 0.76 | COMT (0.76) | COMT | |
| SCHEMBL14816287 | 0.76 | COMT (0.66) | COMT | |
| SCHEMBL6899817 | 0.75 | COMT (0.71) | COMT | |
| SCHEMBL2439128 | 0.74 | COMT (1.00) | COMT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |