Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7911025 | 0.96 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10CYP2C9IDO1 | |
| SCHEMBL7903220 | 0.94 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10CYP2C9IDO1 | |
| SCHEMBL7913714 | 0.93 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10CYP2C9IDO1 | |
| SCHEMBL7914081 | 0.93 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10CYP2C9IDO1 | |
| SCHEMBL7913713 | 0.93 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10CYP2C9IDO1 | |
| SCHEMBL7917364 | 0.91 | CYP2C9 (0.46) | ALDH1A1TSHRHSD17B10CYP2C9IDO1 | |
| SCHEMBL7917421 | 0.88 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10CYP2C9IDO1 | |
| SCHEMBL9337397 | 0.88 | CYP2C9 (0.39) | ALDH1A1CYP2C9IDO1ESR2MAPT | |
| SCHEMBL9337381 | 0.88 | CYP2C9 (0.39) | ALDH1A1CYP2C9IDO1ESR2MAPT | |
| SCHEMBL7913245 | 0.87 | CYP2C9 (0.43) | ALDH1A1TSHRHSD17B10CYP2C9IDO1 |
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 |