Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.55 |
| ▸ | GPER1 | Q99527 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23958502 | 1.00 | ESR1 (0.55) | ESR1GPER1KCNH2 | |
| SCHEMBL27147351 | 0.94 | ESR1 (0.56) | ESR1GPER1KCNH2 | |
| SCHEMBL30822543 | 0.94 | ESR1 (0.56) | ESR1GPER1KCNH2 | |
| SCHEMBL30822529 | 0.94 | ESR1 (0.51) | ESR1GPER1KCNH2 | |
| SCHEMBL27143027 | 0.94 | ESR1 (0.51) | ESR1GPER1KCNH2 | |
| SCHEMBL27143029 | 0.94 | ESR1 (0.51) | ESR1GPER1KCNH2 | |
| SCHEMBL23958462 | 0.90 | ESR1 (0.53) | ESR1GPER1KCNH2 | |
| SCHEMBL23958472 | 0.90 | ESR1 (0.53) | ESR1GPER1KCNH2 | |
| SCHEMBL23958480 | 0.90 | ESR1 (0.53) | ESR1GPER1KCNH2 | |
| SCHEMBL23958436 | 0.85 | ESR1 (0.65) | ESR1GPER1KCNH2 |
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-2021213358-A1 | BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF | 江苏先声药业有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |