Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 20/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23958443 | 1.00 | ESR1 (0.46) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23929193 | 1.00 | ESR1 (0.46) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23958490 | 1.00 | ESR1 (0.46) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23958488 | 0.94 | ESR1 (0.44) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23929186 | 0.94 | ESR1 (0.44) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23958435 | 0.94 | ESR1 (0.44) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23958511 | 0.94 | ESR1 (0.46) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23958510 | 0.94 | ESR1 (0.46) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23958461 | 0.94 | ESR1 (0.46) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23958483 | 0.94 | ESR1 (0.46) | ESR1KCNH2CYP3A4 |
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 2 patents. 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 |
| 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 |