Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 13/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.39 |
| ▸ | CTSD | P07339 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | PORCN | Q9H237 | 2/20 | 0.32 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | GRK6 | P43250 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL929365 | 1.00 | BACE1 (0.39) | BACE1BACE2CTSDKCNH2PORCN | |
| SCHEMBL931363 | 0.87 | BACE1 (0.52) | BACE1BACE2CTSDKCNH2REN | |
| SCHEMBL3360622 | 0.84 | BACE1 (0.35) | BACE1BACE2CTSDKCNH2REN | |
| SCHEMBL930771 | 0.82 | CHRNA1 (0.32) | BACE1BACE2 | |
| SCHEMBL931233 | 0.81 | BACE1 (0.58) | BACE1BACE2CTSDKCNH2 | |
| SCHEMBL3359205 | 0.81 | BACE1 (0.35) | BACE1BACE2CTSDGRK6 | |
| SCHEMBL3360050 | 0.79 | BACE1 (0.35) | BACE1BACE2CTSD | |
| SCHEMBL930784 | 0.79 | BACE1 (0.43) | BACE1BACE2CTSDKCNH2REN | |
| SCHEMBL931080 | 0.76 | — | — | |
| SCHEMBL932098 | 0.76 | — | — |
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-2011002409-A1 | 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | disclosed |