Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.41 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 8/20 | 0.41 |
| ▸ | CES1 | P23141 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL9101377 | 0.94 | CES2 (0.38) | CES2LPAR1LPAR3FAAHCES1 | |
| SCHEMBL13269370 | 0.87 | AKR1B1 (0.42) | CES2MEN1KMT2AHSD17B10AKR1B1 | |
| SCHEMBL31624547 | 0.86 | CES2 (0.44) | CES2LPAR1LPAR3FAAHCES1 | |
| SCHEMBL9102847 | 0.85 | MEN1 (0.33) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL13269538 | 0.85 | CES2 (0.45) | CES2MEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL8386342 | 0.84 | CES2 (0.43) | CES2LPAR1LPAR3FAAHCES1 | |
| SCHEMBL8386380 | 0.84 | CES2 (0.43) | CES2LPAR1LPAR3FAAHCES1 | |
| SCHEMBL28469502 | 0.83 | CES2 (0.44) | CES2MEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL28015102 | 0.83 | AKR1B1 (0.46) | CES2MEN1KMT2AHSD17B10AKR1B1 | |
| SCHEMBL9104721 | 0.82 | CES2 (0.38) | CES2LPAR1LPAR3FAAHCES1 |
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 |