Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.52 |
| ▸ | BACE2 | Q9Y5Z0 | 10/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.41 |
| ▸ | CTSD | P07339 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3359110 | 0.80 | BACE1 (0.57) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL2462456 | 0.75 | BACE1 (0.66) | BACE1BACE2KCNH2 | |
| SCHEMBL3359118 | 0.75 | BACE1 (0.46) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL930574 | 0.69 | BACE1 (0.58) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL24363070 | 0.69 | BACE1 (0.81) | BACE1BACE2KCNH2 | |
| SCHEMBL25916289 | 0.69 | BACE1 (0.81) | BACE1BACE2KCNH2 | |
| SCHEMBL4307456 | 0.68 | BACE1 (1.00) | BACE1BACE2CTSD | |
| SCHEMBL3636014 | 0.68 | BACE1 (0.55) | BACE1BACE2KCNH2 | |
| SCHEMBL27971540 | 0.64 | WNT3A (0.52) | BACE1BACE2 | |
| SCHEMBL2466400 | 0.63 | BACE1 (0.67) | BACE1BACE2KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010056194-A1 | 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | disclosed |