Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.41 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.41 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25924513 | 0.92 | ESR1 (0.44) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL18803740 | 0.90 | ESR1 (0.46) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL25925052 | 0.89 | ESR1 (0.41) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL25925199 | 0.88 | ESR1 (0.44) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL18803731 | 0.87 | ESR1 (0.51) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL25924611 | 0.87 | ESR1 (0.41) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL18803377 | 0.86 | ESR1 (0.44) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL18803379 | 0.86 | ESR1 (0.46) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL25924951 | 0.86 | ESR1 (0.39) | ESR1ESR2PRKACARPS6KB1GSK3B | |
| SCHEMBL18846549 | 0.85 | ESR1 (0.44) | ESR1ESR2PRKACARPS6KB1GSK3B |
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-2023138254-A1 | HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL AND ELEMENT | 上海八亿时空先进材料有限公司 | 2023-07-27 | — | — | WO | disclosed |