Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 2/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL8769629 | 0.99 | CES1 (0.35) | CES1CES2PLA2G2CF2PRSS1 | |
| SCHEMBL8769287 | 0.80 | CA1 (0.37) | CES1 | |
| SCHEMBL8769246 | 0.76 | CES1 (0.42) | CES1CES2PLA2G2CF2PRSS1 | |
| SCHEMBL8769624 | 0.75 | PLA2G2C (0.35) | CES1CES2PLA2G2C | |
| SCHEMBL23581441 | 0.75 | F2 (0.38) | CES1CES2F2PRSS1PRSS2 | |
| SCHEMBL9047624 | 0.74 | CA1 (0.39) | — | |
| SCHEMBL8769243 | 0.72 | CES1 (0.33) | CES1CES2F2PRSS1PRSS2 | |
| SCHEMBL8769283 | 0.72 | — | — | |
| Tetrahexylammonium SCHEMBL238607 | 0.72 | SLC22A1 (0.43) | CES1EPHX1 | |
| Octadecylamine SCHEMBL19743165 | 0.72 | DNM1 (0.43) | CES1CES2F2PRSS1PRSS2 |
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-0792255-A1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-09-03 | — | — | EP | disclosed |