Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | WNT1 | P04628 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25825837 | 0.80 | ESR2 (0.40) | ESR2MAPK1 | |
| SCHEMBL25825898 | 0.79 | ESR1 (0.45) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL25825834 | 0.77 | SPR (0.38) | ESR1ESR2HDAC11 | |
| SCHEMBL506174 | 0.76 | ESR1 (0.49) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL25604195 | 0.75 | ESR2 (0.54) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL25604257 | 0.75 | ESR2 (0.54) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL25825835 | 0.74 | ABHD6 (0.37) | ESR1ESR2ALDH1A1HPGDMAPK1 | |
| SCHEMBL15335066 | 0.63 | CYP3A4 (0.35) | ESR1ESR2HPGD | |
| SCHEMBL505929 | 0.62 | ESR1 (0.39) | ESR1ESR2ALDH1A1GAAHPGD | |
| SCHEMBL25604137 | 0.62 | ESR1 (0.48) | ESR1ESR2 |
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-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |