Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.50 |
| ▸ | BACE2 | Q9Y5Z0 | 8/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.49 |
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29767725 | 0.91 | BACE1 (0.61) | BACE1BACE2KCNH2RENCTSD | |
| SCHEMBL931362 | 0.91 | BACE1 (0.61) | BACE1BACE2KCNH2RENCTSD | |
| SCHEMBL6884548 | 0.87 | BACE1 (0.54) | BACE1BACE2KCNH2RENCTSD | |
| SCHEMBL6886117 | 0.87 | BACE1 (0.57) | BACE1BACE2KCNH2RENCTSD | |
| SCHEMBL6886156 | 0.86 | BACE1 (0.49) | BACE1BACE2KCNH2 | |
| SCHEMBL6885096 | 0.84 | BACE1 (0.51) | BACE1BACE2KCNH2RENCTSD | |
| SCHEMBL6886866 | 0.84 | KDM4E (0.37) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL3359362 | 0.80 | BACE1 (0.54) | BACE1BACE2KCNH2 | |
| SCHEMBL929366 | 0.78 | BACE1 (0.47) | BACE1BACE2KCNH2RENCTSD | |
| SCHEMBL929364 | 0.78 | BACE1 (0.47) | BACE1BACE2KCNH2RENCTSD |
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 | disclosed |
| WO-2011002409-A1 | 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | disclosed |