Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25878534 | 0.93 | MAOA (0.32) | MAOAALDH1A1KDM4E | |
| SCHEMBL25878377 | 0.87 | MCL1 (0.39) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL25878532 | 0.85 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL25878529 | 0.84 | — | — | |
| SCHEMBL25878383 | 0.82 | MAOA (0.37) | MAOAALDH1A1KDM4ECA12CA1 | |
| SCHEMBL25878382 | 0.79 | MAOA (0.40) | MAOAALDH1A1KDM4ECA12CA1 | |
| SCHEMBL25878375 | 0.79 | KDM4E (0.45) | MAOAALDH1A1KDM4ECA12CA1 | |
| SCHEMBL25878530 | 0.78 | ALDH1A1 (0.37) | ALDH1A1HPGDPOLBMAOBGAA | |
| SCHEMBL25857976 | 0.73 | SCN8A (0.30) | MAPT | |
| SCHEMBL12433435 | 0.73 | SCN8A (0.36) | KDM4EPOLBGAAEPHX2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023134594-A1 | NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT | 烟台显华科技集团股份有限公司 | 2023-07-20 | — | — | WO | disclosed |