Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | RUNX1 | Q01196 | 2/20 | 0.34 |
| ▸ | CBFB | Q13951 | 2/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9355736 | 0.73 | TSHR (0.33) | ALDH1A1MAPT | |
| SCHEMBL4953244 | 0.72 | ALDH1A1 (0.42) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL4957177 | 0.70 | ALDH1A1 (0.34) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL9355725 | 0.67 | CCR1 (0.54) | — | |
| SCHEMBL378551 | 0.66 | — | — | |
| SCHEMBL2956668 | 0.65 | HTT (0.41) | ALDH1A1MAPTHTT | |
| SCHEMBL6740529 | 0.65 | ALDH1A1 (0.41) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL4958231 | 0.65 | ALDH1A1 (0.33) | ALDH1A1GAAMAPTHPGDHTT | |
| Hydrochloric Acid SCHEMBL7856022 | 0.64 | TSHR (0.42) | ALDH1A1MAPTHTT | |
| SCHEMBL2204601 | 0.64 | ALDH1A1 (0.44) | ALDH1A1GAAMAPTHPGDHTT |
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 |