Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.52 |
| ▸ | BACE2 | Q9Y5Z0 | 6/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL931347 | 1.00 | BACE1 (0.52) | BACE1KCNH2BACE2ADORA2AADORA1 | |
| SCHEMBL930938 | 1.00 | BACE1 (0.52) | BACE1KCNH2BACE2ADORA2AADORA1 | |
| SCHEMBL931307 | 0.89 | BACE1 (0.43) | BACE1KCNH2BACE2ADORA2AADORA1 | |
| SCHEMBL930738 | 0.83 | BACE1 (0.33) | BACE1KCNH2 | |
| SCHEMBL931249 | 0.82 | BACE1 (0.45) | BACE1KCNH2BACE2 | |
| SCHEMBL931363 | 0.78 | BACE1 (0.52) | BACE1KCNH2BACE2 | |
| SCHEMBL930784 | 0.78 | BACE1 (0.43) | BACE1KCNH2BACE2 | |
| SCHEMBL930574 | 0.78 | BACE1 (0.58) | BACE1KCNH2BACE2 | |
| SCHEMBL931386 | 0.77 | BACE1 (0.67) | BACE1KCNH2BACE2 | |
| SCHEMBL930937 | 0.77 | BACE1 (0.67) | BACE1KCNH2BACE2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011002409-A1 | 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | claimed |
| WO-2011002409-A1 | 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | disclosed |