Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4948979 | 0.83 | COMT (0.51) | COMTS1PR1MAPTTP53POLB | |
| SCHEMBL3582576 | 0.78 | COMT (0.51) | COMTS1PR1MAPTTP53POLB | |
| SCHEMBL1447165 | 0.76 | COMT (0.48) | COMTS1PR1MAPTTP53POLB | |
| SCHEMBL28770812 | 0.74 | MAPT (0.56) | COMTS1PR1MAPTTP53POLB | |
| SCHEMBL3584646 | 0.74 | MAPT (0.50) | COMTS1PR1MAPTTP53POLB | |
| SCHEMBL1446896 | 0.71 | S1PR1 (0.50) | COMTS1PR1MAPTTP53POLB | |
| SCHEMBL1447346 | 0.70 | COMT (0.59) | COMTS1PR1MAPTPOLBAHR | |
| SCHEMBL3586619 | 0.68 | COMT (0.49) | COMTS1PR1MAPTPOLBRXFP1 | |
| SCHEMBL1447072 | 0.68 | COMT (0.59) | COMTMAPTPOLBAHR | |
| SCHEMBL3587756 | 0.68 | COMT (0.49) | COMTMAPTTP53POLBAHR |
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-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |