Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18310393 | 0.93 | HRH3 (0.36) | MRGPRX4HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL18310443 | 0.89 | HRH3 (0.34) | FFAR4MRGPRX4HRH3KCNH2CYP3A4 | |
| SCHEMBL18310461 | 0.89 | HRH3 (0.34) | MRGPRX4HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL15043588 | 0.80 | SPHK1 (0.43) | SPHK1CYP3A4 | |
| SCHEMBL13264064 | 0.79 | SIGMAR1 (0.43) | SPHK1CYP3A4 | |
| SCHEMBL15274896 | 0.78 | NQO1 (0.45) | — | |
| SCHEMBL19542829 | 0.78 | HRH3 (0.38) | HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL19542808 | 0.78 | HRH3 (0.38) | HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL7912569 | 0.78 | ESR2 (0.38) | SPHK1CYP3A4CYP2C9 | |
| SCHEMBL7912562 | 0.78 | ESR2 (0.38) | SPHK1CYP3A4CYP2C9 |
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 |