Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 10/20 | 0.61 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22878726 | 0.93 | COMT (0.59) | COMTCDK8RPS6KA3 | |
| SCHEMBL2467436 | 0.92 | COMT (0.58) | COMTCDK8 | |
| SCHEMBL6901891 | 0.84 | COMT (0.65) | COMTCDK8 | |
| SCHEMBL14816251 | 0.82 | COMT (0.60) | COMT | |
| SCHEMBL14815722 | 0.81 | COMT (0.44) | COMT | |
| SCHEMBL14816399 | 0.79 | COMT (0.44) | COMTRPS6KA3 | |
| SCHEMBL14816287 | 0.79 | COMT (0.66) | COMTCDK8 | |
| SCHEMBL6899372 | 0.79 | COMT (0.44) | COMT | |
| SCHEMBL2439128 | 0.77 | COMT (1.00) | COMT | |
| SCHEMBL2433208 | 0.76 | COMT (0.41) | COMTJAK3 |
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 |