Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.80 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.80 |
| ▸ | ABHD6 | Q9BV23 | 7/20 | 0.60 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 2/20 | 0.46 |
| ▸ | RYR2 | Q92736 | 2/20 | 0.45 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3895230 | 0.89 | ESR1 (1.00) | ESR1ESR2ABHD6RIPK1CA1 | |
| SCHEMBL31164691 | 0.89 | ESR1 (0.90) | ESR1ESR2ABHD6RIPK1CA1 | |
| SCHEMBL7847325 | 0.86 | ESR1 (0.85) | ESR1ESR2ABHD6RIPK1CA1 | |
| SCHEMBL16282723 | 0.86 | ESR1 (0.60) | ESR1ESR2ABHD6SLC6A9HSP90AA1 | |
| SCHEMBL25604136 | 0.85 | ESR1 (0.60) | ESR1ESR2ABHD6MGLL | |
| SCHEMBL2309023 | 0.82 | ESR1 (0.85) | ESR1ESR2ABHD6CA1CA2 | |
| SCHEMBL20983762 | 0.82 | ABHD6 (0.82) | ESR1ESR2ABHD6MGLL | |
| SCHEMBL15435381 | 0.81 | MOGAT2 (0.67) | ESR1ESR2SLC6A9 | |
| SCHEMBL15435267 | 0.81 | MOGAT2 (0.69) | ESR1ESR2 | |
| SCHEMBL14590586 | 0.81 | ESR1 (0.57) | ESR1ESR2ABHD6HSP90AA1CA1 |
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 |