Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7903604 | 0.97 | SPHK1 (0.43) | SPHK1ALDH1A1TSHRHSD17B10SPHK2 | |
| SCHEMBL7917421 | 0.94 | ALDH1A1 (0.41) | SPHK1ALDH1A1TSHRHSD17B10CYP2C9 | |
| SCHEMBL7911249 | 0.93 | CYP2C9 (0.41) | SPHK1ALDH1A1TSHRHSD17B10SPHK2 | |
| SCHEMBL7913849 | 0.91 | SPHK1 (0.47) | SPHK1ALDH1A1TSHRHSD17B10SPHK2 | |
| SCHEMBL7903774 | 0.91 | ALDH1A1 (0.39) | SPHK1ALDH1A1TSHRHSD17B10CYP2C9 | |
| SCHEMBL7914150 | 0.91 | ALDH1A1 (0.40) | SPHK1ALDH1A1TSHRHSD17B10CYP2C9 | |
| SCHEMBL7903759 | 0.90 | CYP2C9 (0.39) | SPHK1ALDH1A1TSHRHSD17B10SPHK2 | |
| SCHEMBL7914020 | 0.90 | SPHK1 (0.33) | SPHK1ALDH1A1TSHRHSD17B10SPHK2 | |
| SCHEMBL7911782 | 0.90 | ALDH1A1 (0.38) | SPHK1ALDH1A1TSHRHSD17B10SPHK2 | |
| SCHEMBL7913769 | 0.90 | ALDH1A1 (0.39) | SPHK1ALDH1A1TSHRHSD17B10SPHK2 |
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 |