Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL7911232 | 0.97 | ALDH1A1 (0.38) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7903622 | 0.97 | ALDH1A1 (0.38) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7917348 | 0.97 | ALDH1A1 (0.38) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7911974 | 0.96 | ALDH1A1 (0.37) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7912204 | 0.96 | MAPT (0.38) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7911809 | 0.96 | ALDH1A1 (0.37) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7911994 | 0.96 | ALDH1A1 (0.37) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7903446 | 0.96 | ALDH1A1 (0.37) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7903774 | 0.93 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10MAPTGAA | |
| SCHEMBL7914150 | 0.93 | ALDH1A1 (0.40) | ALDH1A1TSHRHSD17B10MAPTGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |