Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.46 |
| ▸ | BACE2 | Q9Y5Z0 | 8/20 | 0.46 |
| ▸ | CTSD | P07339 | 7/20 | 0.46 |
| ▸ | REN | P00797 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL3549963 | 0.81 | BACE1 (0.53) | BACE1BACE2CTSDRENKCNH2 | |
| SCHEMBL3918632 | 0.77 | BACE1 (0.60) | BACE1BACE2CTSDREN | |
| Trifluoroacetic Acid SCHEMBL2085934 | 0.74 | BACE1 (0.47) | BACE1BACE2CTSDRENKCNH2 | |
| SCHEMBL2085935 | 0.73 | BACE1 (0.41) | BACE1BACE2CTSDRENKCNH2 | |
| SCHEMBL2280480 | 0.72 | BACE1 (0.66) | BACE1BACE2CTSDRENKCNH2 | |
| SCHEMBL2280487 | 0.72 | BACE1 (0.66) | BACE1BACE2CTSDRENKCNH2 | |
| SCHEMBL3555510 | 0.71 | BACE1 (0.50) | BACE1BACE2CTSDRENKCNH2 | |
| SCHEMBL4103541 | 0.71 | BACE1 (0.46) | BACE1BACE2CTSDKCNH2CYP1A2 | |
| SCHEMBL3551177 | 0.69 | BACE1 (0.67) | BACE1BACE2CTSDRENKCNH2 | |
| SCHEMBL3549622 | 0.69 | BACE1 (0.61) | BACE1BACE2CTSDKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2035378-A1 | SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE | AstraZeneca AB (SE) | 2009-03-18 | — | — | EP | claimed |
| WO-2007149033-A1 | SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE | ASTRAZENECA AB (SE) | 2007-12-27 | — | — | WO | claimed |