Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | GRM5 | P41594 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL20005246 | 0.97 | ESR1 (0.36) | CYP1A2ESR1ESR2ERN1KIF11 | |
| SCHEMBL20004854 | 0.96 | CYP1A2 (0.34) | CYP1A2CYP2A6ESR1ESR2ERN1 | |
| SCHEMBL20004905 | 0.91 | ESR1 (0.34) | CYP1A2CYP2A6ESR1ESR2ERN1 | |
| SCHEMBL20004904 | 0.91 | ESR1 (0.38) | CYP1A2ESR1ESR2ERN1KIF11 | |
| SCHEMBL20005221 | 0.90 | GRM5 (0.37) | CYP1A2CYP2A6KIF11MAPTCYP2C19 | |
| SCHEMBL20004637 | 0.90 | GRM5 (0.37) | CYP1A2CYP2A6KIF11MAPTCYP2C19 | |
| SCHEMBL20004766 | 0.87 | MAPT (0.39) | MAPT | |
| SCHEMBL20004889 | 0.86 | RARB (0.39) | MAPTHRH3 | |
| SCHEMBL20004633 | 0.86 | ACHE (0.39) | CYP2A6KIF11KCNH2GRM5MEN1 | |
| SCHEMBL20005244 | 0.85 | RARB (0.40) | MAPTHRH3 |
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 |