Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL1548004 | 0.86 | CES2 (0.52) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL11458916 | 0.85 | — | — | |
| SCHEMBL11658570 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TP53CES2CES1CA1 | |
| SCHEMBL1304772 | 0.80 | — | — | |
| SCHEMBL11457223 | 0.78 | — | — | |
| SCHEMBL11801715 | 0.77 | CES2 (0.52) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL10646004 | 0.77 | CES2 (0.52) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL11536633 | 0.76 | CES2 (0.55) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL8096611 | 0.76 | CES2 (0.55) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL7916154 | 0.75 | CES2 (0.50) | ALDH1A1TP53CES2CES1CA1 |
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-4481373-A | CATALYTIC OXIDATION OF OLEFINS IN PRESENCE OF TERTIARY AMINE OF AMIDE | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1984-11-06 | — | — | US | disclosed |