Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18310389 | 0.96 | ESR2 (0.41) | ESR2HRH3KCNH2CYP2C9CYP3A4 | |
| SCHEMBL18310418 | 0.88 | RAB9A (0.41) | ESR2HRH3CYP2C9CYP3A4 | |
| SCHEMBL18310421 | 0.86 | CYP2C9 (0.49) | ESR2HRH3KCNH2CYP2C9CYP3A4 | |
| SCHEMBL19722086 | 0.86 | DRD2 (0.43) | ESR2CYP2C9DRD2 | |
| SCHEMBL13128379 | 0.84 | RAB9A (0.44) | ESR2HRH3KCNH2CYP2C9CYP3A4 | |
| SCHEMBL18310444 | 0.82 | ESR2 (0.36) | ESR2HRH3KCNH2CYP2C9CYP3A4 | |
| SCHEMBL7916238 | 0.81 | CYP2C9 (0.52) | ESR2CYP2C9CYP3A4ESR1 | |
| SCHEMBL13128381 | 0.81 | CYP2C9 (0.52) | ESR2HRH3KCNH2CYP2C9CYP3A4 | |
| SCHEMBL7916233 | 0.81 | CYP2C9 (0.52) | ESR2CYP2C9CYP3A4ESR1 | |
| SCHEMBL18310433 | 0.81 | RAB9A (0.41) | ESR2HRH3KCNH2CYP2C9CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180030351-A1 | LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |