Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12548673 | 0.90 | BACE1 (0.38) | CTSDBACE1 | |
| SCHEMBL1853184 | 0.88 | BACE1 (0.32) | CTSDBACE1 | |
| SCHEMBL12548411 | 0.75 | BACE1 (0.39) | CTSDBACE1 | |
| SCHEMBL1951754 | 0.73 | BACE1 (0.37) | CTSDBACE1 | |
| SCHEMBL1852732 | 0.72 | GRIN1 (0.34) | CTSDBACE1 | |
| SCHEMBL12548973 | 0.67 | BACE1 (0.41) | CTSDBACE1 | |
| SCHEMBL12548970 | 0.67 | PTGS2 (0.37) | CTSDBACE1 | |
| SCHEMBL1851293 | 0.65 | BACE1 (0.36) | CTSDBACE1 | |
| SCHEMBL1848216 | 0.65 | BACE1 (0.35) | BACE1 | |
| SCHEMBL3034171 | 0.65 | PGR (0.40) | CTSDBACE1 |
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-2323482-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2011-05-25 | — | — | EP | claimed |
| WO-2010017048-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | claimed |