Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17962273 | 0.83 | COMT (0.68) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL30574428 | 0.83 | COMT (0.68) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL17962427 | 0.75 | COMT (0.59) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL17962295 | 0.74 | COMT (0.65) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL25433799 | 0.73 | COMT (0.74) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL17962335 | 0.72 | COMT (0.73) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL17962426 | 0.70 | COMT (0.63) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL17962318 | 0.70 | COMT (0.68) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL17962417 | 0.69 | COMT (0.78) | COMTKDM4EALDH1A1HTTPOLB | |
| SCHEMBL17962258 | 0.69 | COMT (0.78) | COMTKDM4ELMNAMAPTTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3250209-A1 | COMT INHIBITING METHODS AND COMPOSITIONS | Lieber Institute For Brain Development (US) | 2017-12-06 | — | — | EP | disclosed |
| WO-2016123576-A1 | COMT INHIBITING METHODS AND COMPOSITIONS | LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) | 2016-08-04 | — | — | WO | disclosed |