Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.45 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL25604257 | 0.88 | ESR2 (0.54) | ESR1ESR2ABHD6ALDH1A1HPGD | |
| SCHEMBL25604195 | 0.88 | ESR2 (0.54) | ESR1ESR2ABHD6ALDH1A1HPGD | |
| SCHEMBL506174 | 0.81 | ESR1 (0.49) | ESR1ESR2ABHD6ALDH1A1HPGD | |
| SCHEMBL25825836 | 0.79 | ESR1 (0.36) | ESR1ESR2ALDH1A1HPGDGAA | |
| SCHEMBL25825899 | 0.78 | ESR2 (0.49) | ESR2MAPK1 | |
| SCHEMBL25604137 | 0.75 | ESR1 (0.48) | ESR1ESR2ABHD6HDAC8HDAC6 | |
| SCHEMBL25825897 | 0.73 | ABHD6 (0.47) | ESR1ESR2ABHD6TRAP1 | |
| SCHEMBL31670368 | 0.72 | HDAC6 (0.55) | ESR1ESR2ABHD6MAPTNOTUM | |
| SCHEMBL25236434 | 0.70 | ESR1 (0.43) | ESR1ESR2ABHD6PKMHDAC8 | |
| SCHEMBL7789910 | 0.70 | ESR1 (0.43) | ESR1ESR2ABHD6ALDH1A1GAA |
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 |