Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.51 |
| ▸ | BACE2 | Q9Y5Z0 | 16/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28410066 | 1.00 | BACE1 (0.51) | BACE1BACE2KCNH2 | |
| SCHEMBL28413738 | 0.91 | BACE1 (0.50) | BACE1BACE2KCNH2 | |
| SCHEMBL28413741 | 0.91 | BACE1 (0.50) | BACE1BACE2KCNH2 | |
| SCHEMBL28415138 | 0.89 | HTR1D (0.42) | BACE1BACE2KCNH2 | |
| SCHEMBL28415139 | 0.89 | HTR1D (0.42) | BACE1BACE2KCNH2 | |
| SCHEMBL17850223 | 0.86 | BACE1 (0.59) | BACE1BACE2KCNH2 | |
| Verubecestat SCHEMBL10328722 | 0.86 | BACE1 (0.66) | BACE1BACE2KCNH2 | |
| SCHEMBL10328736 | 0.85 | BACE1 (0.58) | BACE1BACE2KCNH2 | |
| SCHEMBL28411091 | 0.85 | RAB9A (0.43) | — | |
| SCHEMBL28411090 | 0.85 | RAB9A (0.43) | — |
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-109796447-B | Iminothiadiazine dioxide derivatives and their use | 广东东阳光药业有限公司 | 2020-03-13 | — | — | CN | disclosed |