Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 12/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3129002 | 0.84 | CACNA1B (0.51) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3030593 | 0.83 | CACNA1B (0.55) | CACNA1BNR1I2CYP3A4SLC6A9KCNH2 | |
| SCHEMBL3039844 | 0.77 | CACNA1B (0.67) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3134904 | 0.77 | CACNA1B (0.56) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3125681 | 0.76 | CACNA1B (0.46) | CACNA1BNR1I2RORCCYP3A4ALDH1A1 | |
| SCHEMBL3125673 | 0.76 | CACNA1B (0.42) | CACNA1BNR1I2RORCCYP3A4 | |
| SCHEMBL3035021 | 0.75 | CACNA1B (0.62) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3035582 | 0.75 | CACNA1B (0.62) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3031598 | 0.75 | CACNA1B (0.53) | CACNA1BNR1I2RORCCYP3A4 | |
| SCHEMBL3135661 | 0.75 | CACNA1B (0.55) | 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 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 |