Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7529417 | 0.74 | — | — | |
| SCHEMBL30096402 | 0.69 | CES1 (0.37) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL29002000 | 0.68 | CES2 (0.43) | CES1CES2ALDH1A1 | |
| SCHEMBL11048910 | 0.64 | EP300 (0.39) | TP53 | |
| SCHEMBL8147945 | 0.63 | — | — | |
| SCHEMBL9627799 | 0.61 | CES2 (0.32) | CES1CES2ALDH1A1TP53 | |
| SCHEMBL6545411 | 0.58 | — | — | |
| SCHEMBL23829488 | 0.58 | — | — | |
| SCHEMBL15562629 | 0.58 | — | — | |
| SCHEMBL1533723 | 0.58 | CES2 (0.42) | 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-2011142410-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY | 三菱化学株式会社 (JP) | 2011-11-17 | — | — | WO | disclosed |