Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8428819 | 1.00 | CYP2D6 (0.43) | CYP2D6PIM1PIM2NFE2L2GRIK1 | |
| SCHEMBL13790221 | 0.83 | CYP2D6 (0.50) | CYP2D6PIM1PIM2NFE2L2GRIK1 | |
| SCHEMBL9060858 | 0.82 | NFE2L2 (0.62) | CYP2D6NFE2L2KDM4ELMNATP53 | |
| SCHEMBL9060861 | 0.82 | NFE2L2 (0.62) | CYP2D6NFE2L2KDM4ELMNATP53 | |
| SCHEMBL7952453 | 0.82 | KDM4E (0.41) | CYP2D6NFE2L2KDM4ELMNATP53 | |
| SCHEMBL5527133 | 0.80 | POLB (0.43) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL5527135 | 0.80 | POLB (0.43) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL3844916 | 0.80 | KDM4E (0.57) | CYP2D6PIM1PIM2NFE2L2GRIK1 | |
| SCHEMBL9061561 | 0.78 | RELA (0.59) | CYP2D6PIM1PIM2NFE2L2RELA | |
| SCHEMBL9061558 | 0.78 | RELA (0.59) | CYP2D6PIM1PIM2NFE2L2RELA |
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-0718264-B1 | A liquid crystalline compound containing fluorine atom substituted alkyl group(s) and a liquid crystal composition | CHISSO CORP (JP) | 1999-11-17 | — | — | EP | disclosed |
| US-5702641-A | ELECTRICAL AND CHEMICAL STABILITY | CHISSO CORPORATION (JP) | 1997-12-30 | — | — | US | disclosed |
| EP-0718264-A1 | A liquid crystalline compound containing fluorine atom substituted alkyl group(s) and a liquid crystal composition | Chisso Corporation (JP) | 1996-06-26 | — | — | EP | disclosed |