Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL19403026 | 0.95 | GRM5 (0.37) | GRM5ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL10018723 | 0.90 | GRM5 (0.44) | GRM5ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL12700668 | 0.89 | GRM5 (0.40) | GRM5ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL91864 | 0.85 | GRM5 (0.40) | GRM5ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL20004637 | 0.84 | GRM5 (0.37) | GRM5ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL20005221 | 0.84 | GRM5 (0.37) | GRM5ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL8979109 | 0.82 | GRM5 (0.44) | GRM5ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL19999377 | 0.81 | RAPGEF4 (0.42) | RAPGEF4 | |
| SCHEMBL20005246 | 0.81 | ESR1 (0.36) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL20276072 | 0.81 | MAPT (0.38) | GRM5ALDH1A1CYP2A6CA12CA2 |
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 |