Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20169303 | 0.90 | CYP2C9 (0.36) | CYP2C9CYP2C19MAPK14PTPN1GBA1 | |
| SCHEMBL22265652 | 0.81 | GBA1 (0.53) | GBA1 | |
| Hydrochloric Acid SCHEMBL18280157 | 0.79 | GBA1 (0.52) | PTPN1GBA1 | |
| SCHEMBL18385873 | 0.79 | ALOX5 (0.42) | CYP2C9CYP2C19MAPK14PTPN1CNR1 | |
| SCHEMBL15422809 | 0.79 | PLG (0.43) | CYP2C9CYP2C19MAPK14 | |
| SCHEMBL18503357 | 0.77 | ALOX5 (0.31) | CYP2C9CYP2C19MAPK14PTPN1 | |
| SCHEMBL14175186 | 0.77 | ALOX5 (0.31) | CYP2C9CYP2C19MAPK14PTPN1 | |
| SCHEMBL22278205 | 0.74 | NR1D2 (0.41) | CYP2C9CYP2C19MAPK14ATM | |
| SCHEMBL12471786 | 0.74 | — | — | |
| SCHEMBL27945751 | 0.73 | ESR1 (0.33) | ESR1ESR2CYP2C9CYP3A4GBA1 |
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-9605207-B2 | Orthoester derivative, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-03-28 | — | — | US | disclosed |
| EP-2690103-A1 | ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2014-01-29 | — | — | EP | disclosed |
| US-20140021407-A1 | ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2014-01-23 | — | — | US | disclosed |