Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | DGKA | P23743 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | POLA1 | P09884 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | PAM | P19021 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL8629859 | 1.00 | CES1 (0.39) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL11237872 | 0.84 | CES1 (0.40) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL11237871 | 0.84 | CES1 (0.40) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL6255666 | 0.84 | DGKA (0.48) | CES1CES2ALDH1A1DGKATSHR | |
| SCHEMBL8625179 | 0.82 | ATM (0.44) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL4651898 | 0.82 | ATM (0.44) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL4653115 | 0.82 | ATM (0.44) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL4651896 | 0.82 | ATM (0.44) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL4651904 | 0.82 | ATM (0.44) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL4653114 | 0.82 | ATM (0.44) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0847380-A1 | MIXTURE OF ESTERS AND USE THEREOF | BP Chemicals Limited (GB) | 1998-06-17 | — | — | EP | claimed |
| WO-1998000387-A1 | MIXTURE OF ESTERS AND USE THEREOF | BP CHEMICALS LIMITED (GB) | 1998-01-08 | — | — | WO | claimed |