Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 20/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 14/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23958533 | 0.90 | ESR1 (0.51) | ESR1KCNH2CYP3A4CYP2D6HRH3 | |
| SCHEMBL23958431 | 0.87 | ESR1 (0.44) | ESR1KCNH2CYP3A4CYP2D6HRH3 | |
| SCHEMBL23958584 | 0.85 | ESR1 (0.47) | ESR1KCNH2CYP3A4 | |
| SCHEMBL23958417 | 0.85 | ESR1 (0.48) | ESR1KCNH2CYP3A4CYP2D6HRH3 | |
| SCHEMBL23958493 | 0.85 | ESR1 (0.55) | ESR1KCNH2CYP3A4CYP2D6HRH3 | |
| SCHEMBL23958530 | 0.84 | ESR1 (0.65) | ESR1KCNH2CYP3A4CYP2D6HRH3 | |
| SCHEMBL23958418 | 0.84 | ESR1 (0.65) | ESR1KCNH2CYP3A4CYP2D6HRH3 | |
| SCHEMBL23958531 | 0.84 | ESR1 (0.65) | ESR1KCNH2CYP3A4CYP2D6HRH3 | |
| SCHEMBL23958429 | 0.84 | ESR1 (0.65) | ESR1KCNH2CYP3A4CYP2D6HRH3 | |
| SCHEMBL23958505 | 0.84 | ESR1 (0.52) | ESR1KCNH2CYP3A4CYP2D6HRH3 |
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 |