Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19439362 | 0.87 | ESR1 (0.51) | ESR1HDAC6 | |
| SCHEMBL19454190 | 0.87 | ESR1 (0.51) | ESR1HDAC6 | |
| SCHEMBL19439357 | 0.87 | ESR1 (0.51) | ESR1HDAC6 | |
| SCHEMBL23958496 | 0.85 | ESR1 (0.42) | ESR1HDAC6KCNH2 | |
| SCHEMBL20143145 | 0.81 | ESR1 (0.51) | ESR1HDAC6 | |
| SCHEMBL20143157 | 0.81 | ESR1 (0.51) | ESR1HDAC6 | |
| SCHEMBL27143465 | 0.81 | ESR1 (0.51) | ESR1KCNH2 | |
| SCHEMBL27143458 | 0.81 | ESR1 (0.51) | ESR1KCNH2 | |
| SCHEMBL27142150 | 0.80 | ESR1 (0.54) | ESR1KCNH2 | |
| SCHEMBL27105430 | 0.80 | ESR1 (0.54) | ESR1KCNH2 |
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 |