Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | Q9HBH1 | 4/20 | 0.41 | |
| ▸ | CA2 | P00918 | 8/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9101455 | 0.94 | MAPT (0.59) | MAPTALDH1A1CA2CA1CES2 | |
| SCHEMBL12702346 | 0.77 | CA2 (0.52) | ALDH1A1PDFCA2MAPK1CA1 | |
| SCHEMBL29009190 | 0.77 | MAPT (0.58) | MAPTCA2MAPK1CA1CES2 | |
| SCHEMBL4886847 | 0.76 | CA1 (0.48) | ALDH1A1PDFCA2MAPK1CA1 | |
| SCHEMBL21548738 | 0.76 | CA1 (0.48) | ALDH1A1PDFCA2MAPK1CA1 | |
| SCHEMBL1681272 | 0.76 | GPR84 (0.48) | ALDH1A1PDFCA2MAPK1CA1 | |
| SCHEMBL1706462 | 0.75 | — | — | |
| SCHEMBL8326249 | 0.75 | — | — | |
| SCHEMBL8610516 | 0.75 | — | — | |
| SCHEMBL16925375 | 0.75 | — | — |
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-2460802-A1 | TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME | Nagoya Institute of Technology (JP) | 2012-06-06 | — | — | EP | disclosed |