Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1949782 | 0.80 | TP53 (0.35) | CMA1AHR | |
| SCHEMBL2787601 | 0.75 | PIK3CD (0.48) | — | |
| SCHEMBL1849556 | 0.73 | RIPK1 (0.33) | — | |
| SCHEMBL1857520 | 0.72 | BACE1 (0.40) | — | |
| SCHEMBL2785819 | 0.60 | ATM (0.49) | — | |
| SCHEMBL1854240 | 0.58 | HTR2A (0.44) | CMA1AHR | |
| SCHEMBL19410676 | 0.57 | PGR (0.62) | — | |
| SCHEMBL21398154 | 0.57 | GABRG2 (0.37) | GABRA5 | |
| SCHEMBL29003532 | 0.56 | ITGAL (0.39) | — | |
| SCHEMBL17808124 | 0.56 | CMA1 (0.44) | CMA1AHR |
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 | disclosed |
| WO-2010017048-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |