Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3582576 | 0.84 | COMT (0.51) | COMTMAPTAHRS1PR1RAB9A | |
| SCHEMBL4948468 | 0.83 | COMT (0.43) | COMTMAPTAHRS1PR1POLB | |
| SCHEMBL28770812 | 0.82 | MAPT (0.56) | COMTMAPTAHRS1PR1RAB9A | |
| SCHEMBL3584646 | 0.80 | MAPT (0.50) | COMTMAPTAHRS1PR1RAB9A | |
| SCHEMBL3580951 | 0.77 | COMT (0.60) | COMTMAPTS1PR1RAB9ANPC1 | |
| SCHEMBL1447072 | 0.76 | COMT (0.59) | COMTMAPTAHRRAB9ANPC1 | |
| SCHEMBL1447346 | 0.76 | COMT (0.59) | COMTMAPTAHRS1PR1RAB9A | |
| SCHEMBL3587756 | 0.74 | COMT (0.49) | COMTMAPTAHRRAB9ANPC1 | |
| SCHEMBL3589396 | 0.74 | COMT (0.54) | COMTMAPTS1PR1RAB9ANPC1 | |
| SCHEMBL1447398 | 0.74 | COMT (0.59) | COMTMAPTAHRS1PR1RAB9A |
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 | claimed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | claimed |