Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1447624 | 0.79 | COMT (0.60) | COMTRXFP1S1PR1MAPTNPC1 | |
| SCHEMBL3586619 | 0.79 | COMT (0.49) | COMTRXFP1S1PR1MAPTNPC1 | |
| SCHEMBL3585954 | 0.77 | COMT (0.48) | COMTRXFP1S1PR1MAPTNPC1 | |
| SCHEMBL3592774 | 0.75 | COMT (0.55) | COMTRXFP1S1PR1MAPTNPC1 | |
| SCHEMBL1447281 | 0.75 | COMT (0.55) | COMTRXFP1MAPTNPC1RAB9A | |
| SCHEMBL3580951 | 0.75 | COMT (0.60) | COMTS1PR1MAPTNPC1RAB9A | |
| SCHEMBL1447309 | 0.75 | COMT (0.50) | COMTRXFP1S1PR1MAPTNPC1 | |
| SCHEMBL1447346 | 0.74 | COMT (0.59) | COMTS1PR1MAPTNPC1RAB9A | |
| SCHEMBL1447306 | 0.74 | COMT (0.52) | COMTRXFP1S1PR1MAPTNPC1 | |
| SCHEMBL3586856 | 0.74 | COMT (0.53) | COMTS1PR1MAPTNPC1RAB9A |
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 |