Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | CTSE | P14091 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1849671 | 0.89 | GRIN1 (0.39) | BACE1GRIN1GRIN2BKCNH2BACE2 | |
| SCHEMBL1950045 | 0.85 | BACE1 (0.39) | BACE1CACNA1BGRIN1GRIN2BGRM2 | |
| SCHEMBL1856641 | 0.85 | EPHX2 (0.38) | EPHX2 | |
| SCHEMBL1951532 | 0.83 | BACE1 (0.37) | BACE1CACNA1BGRIN1GRIN2BKCNH2 | |
| SCHEMBL3016425 | 0.82 | PGR (0.49) | CACNA1BEPHX2 | |
| SCHEMBL1869646 | 0.79 | BACE1 (0.40) | BACE1CACNA1BGRIN1GRIN2BKCNH2 | |
| SCHEMBL1850310 | 0.79 | BACE1 (0.38) | BACE1CACNA1BGRIN1GRIN2BKCNH2 | |
| SCHEMBL12548419 | 0.79 | BACE1 (0.38) | BACE1CACNA1BGRIN1GRIN2BKCNH2 | |
| SCHEMBL1855992 | 0.79 | BACE1 (0.38) | BACE1CACNA1BGRIN1GRIN2BKCNH2 | |
| SCHEMBL2807065 | 0.75 | BACE1 (0.36) | BACE1CACNA1BGRIN1GRIN2BJAK2 |
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 |