Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.59 |
| ▸ | BACE2 | Q9Y5Z0 | 17/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Verubecestat SCHEMBL10328722 | 0.93 | BACE1 (0.66) | BACE1BACE2KCNH2 | |
| SCHEMBL10328736 | 0.92 | BACE1 (0.58) | BACE1BACE2KCNH2 | |
| SCHEMBL17850225 | 0.89 | BACE1 (0.59) | BACE1BACE2 | |
| SCHEMBL10329872 | 0.89 | BACE1 (0.57) | BACE1BACE2KCNH2 | |
| SCHEMBL10329014 | 0.88 | BACE1 (0.55) | BACE1BACE2KCNH2 | |
| Verubecestat SCHEMBL10328791 | 0.87 | BACE1 (0.61) | BACE1BACE2KCNH2 | |
| SCHEMBL10328723 | 0.87 | BACE1 (0.66) | BACE1BACE2KCNH2 | |
| SCHEMBL28410067 | 0.86 | BACE1 (0.51) | BACE1BACE2KCNH2 | |
| SCHEMBL28410066 | 0.86 | BACE1 (0.51) | BACE1BACE2KCNH2 | |
| SCHEMBL10328719 | 0.86 | BACE1 (0.52) | 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 |