Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.43 |
| ▸ | CTSD | P07339 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL7969283 | 0.82 | BACE1 (0.45) | BACE1CTSDBACE2AKR1B1 | |
| SCHEMBL12244958 | 0.79 | BACE1 (0.44) | BACE1KCNH2AKR1B1 | |
| SCHEMBL1821855 | 0.79 | BACE1 (0.44) | BACE1KCNH2AKR1B1 | |
| SCHEMBL12244961 | 0.79 | BACE1 (0.44) | BACE1KCNH2AKR1B1 | |
| SCHEMBL1823750 | 0.77 | BACE1 (0.53) | BACE1CTSDKCNH2BACE2AKR1B1 | |
| SCHEMBL2378041 | 0.76 | BACE1 (0.59) | BACE1CTSDBACE2 | |
| SCHEMBL1829267 | 0.76 | BACE1 (0.59) | BACE1CTSDBACE2 | |
| SCHEMBL2375229 | 0.76 | BACE1 (0.59) | BACE1CTSDBACE2 | |
| SCHEMBL7948175 | 0.76 | BACE1 (0.59) | BACE1CTSDBACE2 | |
| SCHEMBL2375565 | 0.73 | BACE1 (0.46) | BACE1CTSDKCNH2BACE2AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |