Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 10/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3126830 | 0.84 | CACNA1B (0.44) | CACNA1BNR1I2GPR119SLC6A9CYP3A4 | |
| SCHEMBL3035948 | 0.83 | CACNA1B (0.50) | CACNA1BNR1I2GPR119SCN10ACYP3A4 | |
| SCHEMBL3123172 | 0.78 | CACNA1B (0.43) | CACNA1BNR1I2GPR119SLC6A9CYP3A4 | |
| SCHEMBL3264874 | 0.76 | CACNA1B (0.48) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3042977 | 0.76 | CACNA1B (0.50) | CACNA1BNR1I2CYP3A4KCNH2HCRTR1 | |
| SCHEMBL3035240 | 0.75 | CACNA1B (0.56) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3133586 | 0.74 | CACNA1B (0.55) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3126273 | 0.73 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3040920 | 0.73 | CACNA1B (0.68) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3138741 | 0.73 | CACNA1B (0.44) | CACNA1BNR1I2GPR119SLC6A9ACACB |
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-2205083-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | claimed |
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | claimed |