Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.48 |
| ▸ | BACE2 | Q9Y5Z0 | 15/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10328734 | 0.91 | BACE1 (0.55) | BACE1BACE2KCNH2 | |
| SCHEMBL10329990 | 0.90 | BACE1 (0.49) | BACE1BACE2KCNH2 | |
| SCHEMBL10328841 | 0.89 | BACE1 (0.44) | BACE1BACE2KCNH2 | |
| SCHEMBL10328859 | 0.88 | ALDH1A1 (0.50) | BACE1BACE2KCNH2 | |
| SCHEMBL10328731 | 0.86 | BACE1 (0.50) | BACE1BACE2KCNH2 | |
| SCHEMBL10328723 | 0.86 | BACE1 (0.66) | BACE1BACE2KCNH2 | |
| SCHEMBL17208594 | 0.86 | BACE1 (0.47) | BACE1BACE2KCNH2 | |
| SCHEMBL10328816 | 0.85 | BACE1 (0.52) | BACE1BACE2KCNH2 | |
| SCHEMBL10328847 | 0.85 | BACE1 (0.52) | BACE1BACE2KCNH2 | |
| SCHEMBL10328818 | 0.85 | BACE1 (0.53) | 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 |
|---|---|---|---|---|---|---|---|
| EP-3034080-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2016-06-22 | — | — | EP | disclosed |