Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 20/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 10/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3038851 | 1.00 | CACNA1B (0.62) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL13221164 | 1.00 | CACNA1B (0.62) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL13221172 | 0.91 | CACNA1B (0.56) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3039554 | 0.91 | CACNA1B (0.56) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3030001 | 0.89 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL8044416 | 0.89 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3045391 | 0.85 | CACNA1B (0.73) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3035131 | 0.85 | CACNA1B (0.67) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3025680 | 0.81 | CACNA1B (0.73) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL12542551 | 0.81 | CACNA1B (0.44) | CACNA1BNR1I2 |
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 |