Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL7911274 | 1.00 | TLR4 (0.33) | TLR4DRD2DRD3PTGS1PTGS2 | |
| SCHEMBL7911280 | 1.00 | TLR4 (0.33) | TLR4DRD2DRD3PTGS1PTGS2 | |
| SCHEMBL7911272 | 1.00 | TLR4 (0.33) | TLR4DRD2DRD3PTGS1PTGS2 | |
| SCHEMBL8745214 | 0.87 | TLR4 (0.32) | TLR4FYN | |
| SCHEMBL8745626 | 0.86 | TRPA1 (0.35) | TLR4DRD2DRD3 | |
| SCHEMBL9630908 | 0.83 | MAOB (0.34) | TLR4DRD2DRD3PTGS1PTGS2 | |
| SCHEMBL9630897 | 0.83 | MAOB (0.34) | TLR4DRD2DRD3PTGS1PTGS2 | |
| SCHEMBL9630903 | 0.83 | MAOB (0.34) | TLR4DRD2DRD3PTGS1PTGS2 | |
| SCHEMBL8745155 | 0.82 | TRPA1 (0.34) | FYN | |
| SCHEMBL8745169 | 0.82 | NFE2L2 (0.39) | TLR4PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6174459-B1 | HAVING BUTYLENE GROUP AND/OR A PROPYLENEOXY GROUP AND A 3,4-DIFLUOROPHENYL GROUP AND WHICH CAN EXPRESS SOME PHYSICAL PROPERTIES SUITABLE AS A LIQUID CRYSTAL DISPLAY MATERIAL | CHISSO CORPORATION (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0922021-A1 | DIFLUOROPHENYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998007674-A1 | DIFLUOROPHENYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 1998-02-26 | — | — | WO | disclosed |