Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20004637 | 1.00 | GRM5 (0.37) | GRM5KCNH2ALDH1A1CYP2A6CA12 | |
| SCHEMBL20004633 | 0.95 | ACHE (0.39) | GRM5KCNH2ALDH1A1CYP2A6CA12 | |
| SCHEMBL20005246 | 0.93 | ESR1 (0.36) | GRM5KCNH2CA12CA1CA2 | |
| SCHEMBL20004890 | 0.90 | CYP1A2 (0.35) | GRM5KCNH2CYP2A6KIF11MEN1 | |
| SCHEMBL19403026 | 0.90 | GRM5 (0.37) | GRM5KCNH2ALDH1A1CYP2A6CA12 | |
| SCHEMBL20004620 | 0.89 | CYP11B1 (0.31) | CYP11B1CYP11B2 | |
| SCHEMBL26392287 | 0.89 | ALDH1A1 (0.40) | GRM5KCNH2ALDH1A1CYP2A6CA12 | |
| SCHEMBL20006853 | 0.88 | FFAR1 (0.40) | ALDH1A1CYP2A6MEN1KMT2AFFAR1 | |
| SCHEMBL20004904 | 0.87 | ESR1 (0.38) | GRM5KIF11CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL20004622 | 0.87 | MCHR1 (0.40) | L3MBTL1PTGS2MAPT |
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 |