Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 17/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 9/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3042977 | 0.87 | CACNA1B (0.50) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3035240 | 0.84 | CACNA1B (0.56) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3035948 | 0.84 | CACNA1B (0.50) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL8042853 | 0.84 | CACNA1B (0.54) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3035462 | 0.74 | CACNA1B (0.78) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3123172 | 0.73 | CACNA1B (0.43) | CACNA1BNR1I2CYP3A4MGLL | |
| SCHEMBL3042236 | 0.72 | CACNA1B (0.68) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3036257 | 0.72 | CACNA1B (0.74) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3025559 | 0.72 | CACNA1B (0.86) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3039575 | 0.72 | CACNA1B (0.74) | 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 |