Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.41 |
| ▸ | KCNH1 | O95259 | 1/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495447 | 0.85 | BACE1 (0.39) | BACE1KCNH1BACE2 | |
| SCHEMBL12496698 | 0.83 | BACE1 (0.38) | BACE1 | |
| SCHEMBL19719393 | 0.83 | BACE1 (0.38) | BACE1KCNH1BACE2 | |
| SCHEMBL10325459 | 0.74 | BACE1 (0.41) | BACE1 | |
| SCHEMBL10325637 | 0.74 | BACE1 (0.42) | BACE1 | |
| SCHEMBL12496098 | 0.74 | BACE1 (0.64) | BACE1KCNH1BACE2 | |
| SCHEMBL16424715 | 0.73 | BACE1 (0.65) | BACE1KCNH1BACE2 | |
| SCHEMBL10326102 | 0.72 | BACE1 (0.40) | BACE1PDE4B | |
| SCHEMBL13517591 | 0.71 | BACE1 (0.43) | BACE1 | |
| SCHEMBL10325301 | 0.71 | BACE1 (0.43) | BACE1 |
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-2683721-A1 | 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | Janssen Pharmaceutica N.V. (BE) | 2014-01-15 | — | — | EP | disclosed |
| WO-2012120023-A1 | 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2012-09-13 | — | — | WO | disclosed |