Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 10/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26101297 | 0.73 | CES1 (0.47) | CES1ALDH3A1ALDH1A1TTRBCHE | |
| SCHEMBL5707657 | 0.72 | CES1 (0.57) | CES1ALDH3A1ALDH1A1TTRBCHE | |
| SCHEMBL4869538 | 0.67 | CES1 (0.68) | CES1ALDH3A1ALDH1A1TTRBCHE | |
| SCHEMBL2259762 | 0.67 | CES1 (0.59) | CES1ALDH3A1ALDH1A1TTRBCHE | |
| SCHEMBL29711265 | 0.67 | CES1 (0.59) | CES1ALDH3A1ALDH1A1TTRBCHE | |
| SCHEMBL8087889 | 0.65 | CES1 (0.57) | CES1ALDH3A1ALDH1A1TTRBCHE | |
| SCHEMBL995401 | 0.65 | CES1 (1.00) | CES1ALDH3A1ALDH1A1TTRBCHE | |
| SCHEMBL578197 | 0.63 | CES1 (0.62) | CES1ALDH3A1ALDH1A1BCHETGM2 | |
| SCHEMBL9236314 | 0.62 | CES1 (0.72) | CES1ALDH3A1ALDH1A1TTRBCHE | |
| SCHEMBL27686651 | 0.62 | CES1 (0.72) | CES1ALDH3A1ALDH1A1TTRBCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0433526-A1 | Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular | Richter, Peter, Prof. Dr.sc.nat. (DE) | 1991-06-26 | — | — | EP | disclosed |