Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 12/20 | 0.83 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2439128 | 0.91 | COMT (1.00) | COMT | |
| SCHEMBL14815720 | 0.86 | COMT (0.81) | COMT | |
| SCHEMBL6901028 | 0.85 | COMT (0.84) | COMT | |
| SCHEMBL6901182 | 0.83 | COMT (0.76) | COMT | |
| SCHEMBL6900331 | 0.83 | COMT (0.76) | COMT | |
| SCHEMBL22878777 | 0.83 | COMT (0.67) | COMT | |
| SCHEMBL6901158 | 0.82 | COMT (0.74) | COMT | |
| SCHEMBL6901163 | 0.82 | COMT (0.74) | COMT | |
| SCHEMBL6901816 | 0.82 | COMT (1.00) | COMT | |
| SCHEMBL14816342 | 0.82 | COMT (0.73) | 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 |