Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 9/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8028100 | 0.86 | L3MBTL1 (0.35) | COMTALDH1A1MAPTL3MBTL1CDK2 | |
| SCHEMBL8037291 | 0.86 | COMT (0.37) | COMTALDH1A1MAPT | |
| SCHEMBL8035686 | 0.82 | COMT (0.38) | COMTALDH1A1MAPTL3MBTL1CDK2 | |
| SCHEMBL8039069 | 0.81 | COMT (0.40) | COMTALDH1A1MAPT | |
| SCHEMBL8041271 | 0.80 | COMT (0.35) | COMTALDH1A1MAPTL3MBTL1CDK2 | |
| SCHEMBL8037287 | 0.79 | COMT (0.39) | COMTALDH1A1MAPTL3MBTL1CDK2 | |
| SCHEMBL8044817 | 0.75 | ALDH1A1 (0.35) | VCAM1ALDH1A1MAPTL3MBTL1CDK2 | |
| SCHEMBL8035095 | 0.74 | SPR (0.38) | COMTALDH1A1MAPT | |
| SCHEMBL7614112 | 0.73 | COMT (0.43) | COMTALDH1A1CDK2 | |
| SCHEMBL8039065 | 0.73 | HSP90AA1 (0.47) | ALDH1A1 |
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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |