Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | P2RY1 | P47900 | 14/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.43 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29100772 | 0.81 | P2RY1 (0.44) | P2RY1P2RY14PLCG1 | |
| SCHEMBL21121867 | 0.75 | KMT2A (0.50) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL5566828 | 0.75 | ALDH1A1 (0.45) | ALDH1A1 | |
| SCHEMBL10550352 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL77829 | 0.73 | ALDH1A1 (0.56) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21122068 | 0.73 | BACE1 (0.42) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| Bromide SCHEMBL6851419 | 0.72 | ALDH1A1 (0.54) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL14803765 | 0.72 | PLK1 (0.43) | ALDH1A1P2RY1PLCG1 | |
| SCHEMBL77689 | 0.72 | SLC22A12 (0.46) | P2RY1P2RY14PLCG1 | |
| SCHEMBL6022886 | 0.71 | NLRP3 (0.42) | ALDH1A1 |
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-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |