Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 7/20 | 0.47 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | TRAP1 | Q12931 | 8/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | BAD | Q92934 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25604192 | 0.86 | ESR1 (0.56) | ABHD6ESR1ESR2BCL2L1BAD | |
| SCHEMBL8177222 | 0.86 | ESR1 (0.56) | ABHD6ESR1ESR2BCL2L1BAD | |
| SCHEMBL19582436 | 0.84 | ESR1 (0.50) | ABHD6ESR1ESR2BCL2L1BAD | |
| SCHEMBL31277017 | 0.81 | NOTUM (0.55) | ABHD6ESR1ESR2TRAP1HSP90B1 | |
| SCHEMBL1367873 | 0.81 | NOTUM (0.55) | ABHD6ESR1ESR2TRAP1HSP90B1 | |
| SCHEMBL16637906 | 0.80 | TRAP1 (0.43) | ABHD6TRAP1HSP90B1HSP90AA1HSP90AB1 | |
| SCHEMBL506963 | 0.78 | ESR1 (0.50) | ABHD6ESR1ESR2BCL2L1BAD | |
| SCHEMBL11569116 | 0.78 | NOTUM (0.63) | ABHD6TRAP1HSP90B1HSP90AA1HSP90AB1 | |
| SCHEMBL25604095 | 0.77 | ABHD6 (0.54) | ABHD6ESR1ESR2TRAP1HSP90B1 | |
| SCHEMBL7524427 | 0.77 | ESR1 (0.44) | ABHD6ESR1ESR2 |
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 |