Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL9140167 | 0.91 | CES1 (0.35) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL8582939 | 0.82 | CES1 (0.47) | CES1CES2ALDH1A1TP53CA1 | |
| Ammonia Solution, Strong SCHEMBL28852850 | 0.79 | CES1 (0.45) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL7698922 | 0.76 | CES2 (0.48) | CES1CES2ALDH1A1 | |
| SCHEMBL2998926 | 0.76 | CES1 (0.43) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL28332249 | 0.76 | MAPT (0.46) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL26822 | 0.76 | — | — | |
| SCHEMBL4609539 | 0.75 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL3335968 | 0.74 | CES2 (0.50) | CES1CES2ALDH1A1 | |
| SCHEMBL11414513 | 0.74 | CES2 (0.50) | CES1CES2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009045413-A1 | PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE | PHARMATECH INTERNATIONAL, INC. (US) | 2009-04-09 | — | — | WO | disclosed |