Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 16/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3128831 | 0.82 | CACNA1B (0.47) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3035563 | 0.82 | CACNA1B (0.64) | CACNA1BNR1I2CYP3A4AKR1C3SCN9A | |
| SCHEMBL3135020 | 0.81 | CACNA1B (0.44) | CACNA1BNR1I2CYP3A4CNR1L3MBTL1 | |
| SCHEMBL15103443 | 0.80 | CACNA1B (0.47) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3136551 | 0.79 | STS (0.52) | CACNA1BNR1I2 | |
| SCHEMBL15103500 | 0.79 | CACNA1B (0.44) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3134914 | 0.78 | CACNA1B (0.47) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3133034 | 0.78 | CACNA1B (0.53) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3132516 | 0.78 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3129420 | 0.78 | CACNA1B (0.46) | 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 |