Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 15/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 15/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | CLK3 | P49761 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17850251 | 0.94 | HRH4 (0.35) | HRH4BACE1BACE2CLK2CLK3 | |
| SCHEMBL10329168 | 0.90 | BACE1 (0.42) | BACE1BACE2 | |
| SCHEMBL10329167 | 0.84 | BACE1 (0.42) | BACE1BACE2 | |
| SCHEMBL19033612 | 0.82 | HRH4 (0.37) | HRH4BACE1BACE2CLK2CLK3 | |
| SCHEMBL10329934 | 0.80 | BACE1 (0.36) | BACE1BACE2 | |
| SCHEMBL10329152 | 0.77 | BACE1 (0.47) | BACE1BACE2 | |
| SCHEMBL19033625 | 0.76 | HRH4 (0.37) | HRH4BACE1BACE2CLK2CLK3 | |
| SCHEMBL17850190 | 0.74 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL10329905 | 0.74 | BACE1 (0.35) | BACE1BACE2 | |
| SCHEMBL10329998 | 0.73 | BACE1 (0.47) | BACE1BACE2 |
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 |