Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 8/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | ACLY | P53396 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.51 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.50 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.50 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.50 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.50 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.50 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17962322 | 1.00 | COMT (0.66) | COMTKDM4EACLYCYP3A4CYP2C19 | |
| SCHEMBL17962299 | 0.97 | COMT (0.70) | COMTKDM4EACLYCYP3A4CYP2C19 | |
| SCHEMBL17962346 | 0.89 | COMT (0.63) | COMTKDM4ECYP3A4CYP2C19FTO | |
| SCHEMBL17962278 | 0.87 | COMT (0.67) | COMTKDM4EFTOALDH1A1POLB | |
| SCHEMBL30574413 | 0.87 | COMT (0.67) | COMTKDM4EFTOALDH1A1POLB | |
| SCHEMBL17962409 | 0.87 | POLB (0.61) | COMTKDM4ECYP3A4CYP2C19FTO | |
| SCHEMBL17962422 | 0.85 | COMT (0.67) | COMTKDM4EFTO | |
| SCHEMBL17962358 | 0.84 | COMT (0.58) | COMTKDM4EFTO | |
| SCHEMBL17962964 | 0.83 | COMT (0.56) | COMTKDM4ECYP3A4CYP2C19FTO | |
| SCHEMBL17962401 | 0.82 | COMT (0.63) | COMTKDM4EFTOALDH1A1POLB |
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 |