Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL7917608 | 0.96 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10ESR2EPHX2 | |
| SCHEMBL7913725 | 0.96 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10ESR2EPHX2 | |
| SCHEMBL7911165 | 0.92 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10ESR2EPHX2 | |
| SCHEMBL9340934 | 0.86 | ESR2 (0.47) | ALDH1A1TSHRHSD17B10ESR2EPHX2 | |
| SCHEMBL9340930 | 0.86 | ESR2 (0.47) | ALDH1A1TSHRHSD17B10ESR2EPHX2 | |
| SCHEMBL7911964 | 0.85 | FASN (0.38) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL7912009 | 0.85 | CYP2C9 (0.43) | ALDH1A1TSHRHSD17B10ESR2EPHX2 | |
| SCHEMBL7914087 | 0.85 | CYP2C9 (0.43) | ALDH1A1TSHRHSD17B10ESR2EPHX2 | |
| SCHEMBL7914045 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10ESR2L3MBTL1 | |
| SCHEMBL9979949 | 0.83 | ESR2 (0.47) | ALDH1A1TSHRESR2EPHX2HRH3 |
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-0640578-B2 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | CHISSO CORP (JP) | 2001-06-27 | — | — | EP | disclosed |
| EP-0640578-B1 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | CHISSO CORP (JP) | 1997-11-05 | — | — | EP | disclosed |
| EP-0640578-A1 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | Chisso Corporation (JP) | 1995-03-01 | — | — | EP | disclosed |