Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 12/20 | 0.38 |
| ▸ | APP | P05067 | 8/20 | 0.38 |
| ▸ | CTSD | P07339 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15892973 | 0.93 | BACE1 (0.39) | BACE1BACE2APPCTSDKCNH2 | |
| SCHEMBL10328910 | 0.91 | BACE1 (0.46) | BACE1BACE2APPCTSDKCNH2 | |
| SCHEMBL19033641 | 0.89 | BACE1 (0.48) | BACE1BACE2KCNH2 | |
| SCHEMBL10328909 | 0.89 | BACE1 (0.42) | BACE1BACE2APPCTSDKCNH2 | |
| SCHEMBL10328931 | 0.87 | BACE1 (0.44) | BACE1BACE2APPCTSDKCNH2 | |
| SCHEMBL10328918 | 0.87 | BACE1 (0.46) | BACE1BACE2APPKCNH2 | |
| SCHEMBL10328922 | 0.87 | BACE1 (0.47) | BACE1BACE2APPCTSDKCNH2 | |
| SCHEMBL19033633 | 0.85 | BACE1 (0.49) | BACE1BACE2KCNH2 | |
| SCHEMBL19033595 | 0.85 | BACE1 (0.42) | BACE1BACE2 | |
| SCHEMBL19033638 | 0.85 | BACE1 (0.48) | 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 |
|---|---|---|---|---|---|---|---|
| US-9687494-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-06-27 | — | — | US | disclosed |