Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 19/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 10/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3037966 | 0.87 | CACNA1B (0.54) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3038145 | 0.84 | CACNA1B (0.60) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL8044016 | 0.84 | CACNA1B (0.50) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3034886 | 0.84 | CACNA1B (0.54) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL14688807 | 0.79 | CACNA1B (0.55) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3038537 | 0.78 | CACNA1B (0.51) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3035462 | 0.78 | CACNA1B (0.78) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3030681 | 0.76 | CACNA1B (0.64) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3035595 | 0.76 | CACNA1B (0.66) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3042236 | 0.76 | CACNA1B (0.68) | CACNA1BNR1I2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |