Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL9763749 | 0.98 | ALDH1A1 (0.40) | ALDH1A1CYP1A2EPHX1GRM2 | |
| SCHEMBL9764036 | 0.98 | ALDH1A1 (0.40) | ALDH1A1CYP1A2EPHX1GRM2 | |
| SCHEMBL9763985 | 0.98 | ALDH1A1 (0.40) | ALDH1A1CYP1A2EPHX1GRM2 | |
| SCHEMBL9764328 | 0.98 | ALDH1A1 (0.40) | ALDH1A1CYP1A2EPHX1GRM2 | |
| SCHEMBL9763991 | 0.95 | CYP1A2 (0.32) | ALDH1A1CYP1A2 | |
| SCHEMBL7781594 | 0.93 | ALDH1A1 (0.33) | ALDH1A1CYP1A2 | |
| SCHEMBL7781591 | 0.93 | ALDH1A1 (0.33) | ALDH1A1CYP1A2 | |
| SCHEMBL7778849 | 0.92 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL7781373 | 0.92 | ALDH1A1 (0.35) | ALDH1A1EPHX1GRM2 | |
| SCHEMBL7778852 | 0.92 | ALDH1A1 (0.32) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0387032-B1 | TRIFLUOROBENZENE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME | CHISSO CORP (JP) | 1993-06-16 | — | — | EP | disclosed |
| US-5032313-A | Trifluorobenzene derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1991-07-16 | — | — | US | disclosed |
| EP-0387032-A1 | Trifluorobenzene derivatives and liquid crystal compositions containing the same | Chisso Corporation (JP) | 1990-09-12 | — | — | EP | disclosed |