Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20005287 | 0.91 | ESR1 (0.38) | FFAR1ESR1ESR2AAK1CYP11B1 | |
| SCHEMBL20004878 | 0.85 | HRH3 (0.38) | FFAR1 | |
| SCHEMBL20005267 | 0.84 | RARA (0.39) | FFAR1CYP1A2MAPTCYP2C19 | |
| SCHEMBL20004894 | 0.84 | RARA (0.39) | FFAR1CYP1A2MAPTCYP2C19 | |
| SCHEMBL20004586 | 0.84 | GRM5 (0.37) | PTGS2AAK1CYP11B1CYP11B2 | |
| SCHEMBL20005285 | 0.83 | FFAR1 (0.40) | FFAR1 | |
| SCHEMBL20004870 | 0.83 | FFAR1 (0.45) | FFAR1CYP1A2CYP2A6 | |
| SCHEMBL20005225 | 0.82 | FFAR1 (0.46) | FFAR1CYP1A2CYP2A6 | |
| SCHEMBL19999503 | 0.80 | FFAR4 (0.39) | FFAR1MAPTCYP11B1CYP11B2 | |
| SCHEMBL19999533 | 0.80 | FFAR1 (0.33) | FFAR1PTGS2AAK1ARKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3299439-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-03-28 | — | — | EP | disclosed |