Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22353140 | 1.00 | ESR1 (0.50) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL18885226 | 0.91 | CDK5 (0.53) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL23460330 | 0.75 | MAOA (0.43) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL29919352 | 0.75 | MAOA (0.43) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL28364176 | 0.74 | CDK5 (0.64) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL736975 | 0.74 | CDK5 (0.64) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL28367457 | 0.74 | CDK5 (0.64) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL12036686 | 0.73 | ESR2 (0.58) | ESR1ESR2CYP3A4 | |
| SCHEMBL205625 | 0.72 | S100A4 (0.56) | ESR1ESR2CA1CA2CA9 | |
| SCHEMBL23111391 | 0.72 | ESR1 (0.50) | ESR1ESR2MAOAUGT1A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-113423802-B | Polymerizable compounds and their use in liquid crystal displays | 默克专利股份有限公司 | 2024-05-28 | — | — | CN | disclosed |