Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 10/20 | 0.41 |
| ▸ | CTSD | P07339 | 4/20 | 0.41 |
| ▸ | KCNH1 | O95259 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495237 | 0.89 | BACE1 (0.45) | BACE1BACE2KCNH1 | |
| SCHEMBL16424783 | 0.86 | BACE1 (0.44) | BACE1BACE2CTSDKCNH1 | |
| SCHEMBL16424846 | 0.85 | BACE1 (0.36) | BACE1BACE2CTSD | |
| SCHEMBL12495235 | 0.83 | BACE1 (0.41) | BACE1BACE2KCNH1 | |
| SCHEMBL12524795 | 0.82 | BACE1 (0.37) | BACE1BACE2CTSD | |
| SCHEMBL27926929 | 0.82 | BACE1 (0.35) | BACE1BACE2KCNH1 | |
| SCHEMBL12524649 | 0.80 | BACE1 (0.53) | BACE1BACE2CTSDKCNH1 | |
| SCHEMBL9958638 | 0.80 | BACE1 (0.57) | BACE1BACE2CTSDKCNH1 | |
| SCHEMBL9958634 | 0.80 | BACE1 (0.57) | BACE1BACE2CTSDKCNH1 | |
| SCHEMBL17699494 | 0.79 | BACE1 (0.55) | BACE1BACE2CTSDKCNH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9845326-B2 | Substituted 3,4-dihydropyrrolo[1,2-A]pyrazines as beta-secretase (BACE) inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2017-12-19 | — | — | US | disclosed |
| EP-2683721-B1 | 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2015-01-28 | — | — | 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 |