Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8400960 | 1.00 | CES1 (0.37) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL309930 | 0.75 | CES1 (0.42) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL309929 | 0.75 | CES1 (0.42) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL2533712 | 0.75 | CES1 (0.37) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL2533714 | 0.75 | CES1 (0.37) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL6472460 | 0.74 | CES1 (0.50) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL6472464 | 0.74 | CES1 (0.50) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL10536047 | 0.73 | — | — | |
| SCHEMBL24159175 | 0.71 | CES1 (0.34) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL21377222 | 0.71 | CES1 (0.34) | CES1CES2ALDH1A1TP53CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5976512-A | SUN SCREENING AGENTS. | ROCHE VITAMINS INC. (US) | 1999-11-02 | — | — | US | claimed |