Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 8/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 5/20 | 0.41 |
| ▸ | MGLL | Q99685 | 4/20 | 0.41 |
| ▸ | GPR6 | P46095 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3038797 | 0.84 | CACNA1B (0.75) | CACNA1BNR1I2MGLLSLC6A9SLC6A5 | |
| SCHEMBL3031577 | 0.81 | CACNA1B (0.51) | CACNA1BNR1I2MGLLCHRM2CYP3A4 | |
| SCHEMBL3032683 | 0.75 | CACNA1B (0.76) | CACNA1BNR1I2SLC6A9CYP3A4 | |
| SCHEMBL8042549 | 0.72 | CACNA1B (0.79) | CACNA1BNR1I2CHRM2CYP3A4 | |
| SCHEMBL3257390 | 0.70 | CACNA1B (1.00) | CACNA1BNR1I2SLC6A9CYP3A4 | |
| SCHEMBL3025788 | 0.70 | CACNA1B (1.00) | CACNA1BNR1I2SLC6A9CYP3A4 | |
| SCHEMBL3031583 | 0.70 | CACNA1B (1.00) | CACNA1BNR1I2SLC6A9CYP3A4 | |
| SCHEMBL3035394 | 0.69 | CACNA1B (0.76) | CACNA1BNR1I2MGLLSLC6A9SLC6A5 | |
| SCHEMBL3045391 | 0.67 | CACNA1B (0.73) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL14003454 | 0.67 | P2RX7 (0.53) | MGLLCHRM2 |
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 |