Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | TRPV3 | Q8NET8 | 4/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3587756 | 0.82 | COMT (0.49) | COMTTTRPOLBMAPTNPC1 | |
| SCHEMBL3593513 | 0.80 | COMT (0.47) | COMTTTRPOLBMAPTNPC1 | |
| SCHEMBL4952238 | 0.78 | TTR (0.44) | COMTTTRMAPTNPC1RAB9A | |
| SCHEMBL3587362 | 0.74 | TTR (0.40) | COMTTTRPOLBCRHBPCRHR2 | |
| SCHEMBL3588271 | 0.74 | TTR (0.38) | COMTTTRTRPV3CRHBPCRHR2 | |
| SCHEMBL3582679 | 0.73 | COMT (0.52) | COMTTTRPOLBMAPTNPC1 | |
| SCHEMBL3587929 | 0.71 | TTR (0.38) | COMTTTRCRHBPCRHR2MAPT | |
| SCHEMBL3585954 | 0.71 | COMT (0.48) | COMTTTRPOLBMAPTNPC1 | |
| SCHEMBL3587928 | 0.70 | TTR (0.43) | COMTTTRCRHBPCRHR2MAPT | |
| SCHEMBL3582149 | 0.70 | COMT (0.49) | COMTTTRPOLBMAPTNPC1 |
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 |