Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3638564 | 0.89 | CHRM2 (0.50) | KCNH2CHRM2CHRM1CHRNB2CHRM3 | |
| SCHEMBL14403556 | 0.86 | CTNNB1 (0.46) | — | |
| SCHEMBL11519567 | 0.83 | KCNH2 (0.34) | KCNH2CHRM2CHRM1CHRNB2CHRM3 | |
| SCHEMBL10157959 | 0.82 | KCNH2 (0.49) | KCNH2CHRM2CHRM1CHRNB2CHRM3 | |
| SCHEMBL17030554 | 0.82 | CTNNB1 (0.42) | — | |
| SCHEMBL22984281 | 0.82 | KCNH2 (0.46) | KCNH2CHRM2CHRM1CHRNB2CHRM3 | |
| SCHEMBL28841074 | 0.82 | KCNH2 (0.46) | KCNH2CHRM2CHRM1CHRNB2CHRM3 | |
| SCHEMBL31061889 | 0.82 | KCNH2 (0.49) | KCNH2CHRM2CHRM1CHRNB2CHRM3 | |
| SCHEMBL14079587 | 0.82 | KCNH2 (0.46) | KCNH2 | |
| SCHEMBL1174021 | 0.79 | CYP2D6 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114907389-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-08-16 | — | — | CN | disclosed |