Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL474401 | 0.92 | ALDH1A1 (0.35) | ALDH1A1S1PR2CMA1 | |
| SCHEMBL2815886 | 0.92 | ALDH1A1 (0.35) | ALDH1A1S1PR2CMA1 | |
| SCHEMBL2817335 | 0.92 | ALDH1A1 (0.35) | ALDH1A1S1PR2CMA1 | |
| SCHEMBL15580672 | 0.90 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL12163748 | 0.90 | ALDH1A1 (0.34) | ALDH1A1S1PR2CMA1 | |
| SCHEMBL474523 | 0.90 | ALDH1A1 (0.34) | ALDH1A1S1PR2CMA1 | |
| SCHEMBL474326 | 0.87 | ALDH1A1 (0.33) | ALDH1A1S1PR2CMA1 | |
| SCHEMBL12163905 | 0.87 | ALDH1A1 (0.33) | ALDH1A1S1PR2CMA1 | |
| SCHEMBL12164272 | 0.87 | CMA1 (0.36) | ALDH1A1CMA1 | |
| SCHEMBL474446 | 0.87 | CMA1 (0.36) | ALDH1A1CMA1 |
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-2411365-B1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | disclosed |