Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 8/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.55 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17962278 | 1.00 | COMT (0.67) | COMTKDM4ETRPA1FTOMMP2 | |
| SCHEMBL17962299 | 0.90 | COMT (0.70) | COMTKDM4EFTOALDH1A1POLB | |
| SCHEMBL17962346 | 0.89 | COMT (0.63) | COMTKDM4EFTOALDH1A1POLB | |
| SCHEMBL30574404 | 0.87 | COMT (0.66) | COMTKDM4EFTOALDH1A1POLB | |
| SCHEMBL17962322 | 0.87 | COMT (0.66) | COMTKDM4EFTOALDH1A1POLB | |
| SCHEMBL17962358 | 0.87 | COMT (0.58) | COMTKDM4EFTOGAA | |
| SCHEMBL17962409 | 0.85 | POLB (0.61) | COMTKDM4EFTOALDH1A1POLB | |
| SCHEMBL17962422 | 0.84 | COMT (0.67) | COMTKDM4EFTO | |
| SCHEMBL17962392 | 0.81 | COMT (0.67) | COMTKDM4EFTO | |
| SCHEMBL17960010 | 0.81 | COMT (0.67) | COMTKDM4EFTO |
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-3250209-B1 | COMT INHIBITING METHODS AND COMPOSITIONS | LIEBER INST FOR BRAIN DEVELOPMENT (US) | 2023-09-13 | — | — | EP | disclosed |