Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419958 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRTHRBCYP2D6CYP2C19 | |
| SCHEMBL6881430 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRTHRBCYP2D6CYP2C19 | |
| SCHEMBL31340033 | 0.73 | ALDH1A1 (0.44) | ALDH1A1TSHRTHRBCYP2D6CYP2C19 | |
| SCHEMBL6118178 | 0.72 | NR1H2 (0.35) | — | |
| SCHEMBL6117118 | 0.72 | FFAR3 (0.35) | ALDH1A1TSHRTHRBFFAR3CYP2D6 | |
| SCHEMBL30018162 | 0.71 | TSHR (0.57) | ALDH1A1TSHRFFAR3LCKFYN | |
| SCHEMBL27687549 | 0.71 | — | — | |
| SCHEMBL134556 | 0.68 | — | — | |
| SCHEMBL2650393 | 0.68 | — | — | |
| SCHEMBL810675 | 0.68 | — | — |
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 |