Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 15/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28848957 | 1.00 | BACE1 (0.42) | BACE1BACE2KCNH2 | |
| SCHEMBL29826350 | 1.00 | BACE1 (0.42) | BACE1BACE2KCNH2 | |
| SCHEMBL28849037 | 0.90 | BACE1 (0.45) | BACE1BACE2KCNH2 | |
| SCHEMBL28849033 | 0.90 | BACE1 (0.45) | BACE1BACE2KCNH2 | |
| SCHEMBL28848891 | 0.89 | BACE1 (0.46) | BACE1BACE2KCNH2 | |
| SCHEMBL28848889 | 0.89 | BACE1 (0.46) | BACE1BACE2KCNH2 | |
| SCHEMBL28849026 | 0.88 | BACE1 (0.41) | BACE1BACE2KCNH2 | |
| SCHEMBL28849027 | 0.88 | BACE1 (0.41) | BACE1BACE2KCNH2 | |
| SCHEMBL10328859 | 0.85 | ALDH1A1 (0.50) | BACE1BACE2KCNH2 | |
| SCHEMBL10328857 | 0.85 | BACE1 (0.46) | BACE1BACE2KCNH2 |
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-110467611-B | Iminothiadiazine dioxide derivatives and their use | 广东东阳光药业有限公司 | 2022-09-27 | — | — | CN | disclosed |