Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.47 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL933494 | 1.00 | BACE1 (0.47) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL932453 | 0.82 | BACE1 (0.36) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL932068 | 0.82 | BACE1 (0.36) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL932343 | 0.82 | BACE1 (0.37) | BACE1BACE2 | |
| Hydrochloric Acid SCHEMBL934082 | 0.82 | BACE1 (0.36) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL12500665 | 0.80 | BACE1 (0.50) | BACE1BACE2KCNH2CTSD | |
| Hydrochloric Acid SCHEMBL932408 | 0.77 | BACE1 (0.35) | BACE1BACE2CTSD | |
| SCHEMBL6877100 | 0.75 | BACE1 (0.62) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL967098 | 0.75 | BACE1 (0.62) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL934064 | 0.75 | BACE1 (0.62) | BACE1BACE2KCNH2CTSD |
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-2451793-A1 | BACE INHIBITORS | Eli Lilly and Company (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005738-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |