Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 11/20 | 0.63 |
| ▸ | NR1I2 | O75469 | 5/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3259709 | 0.92 | CACNA1B (0.62) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3256020 | 0.91 | CACNA1B (0.61) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13221471 | 0.89 | CACNA1B (0.59) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3131708 | 0.89 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13221483 | 0.89 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3035916 | 0.89 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3031159 | 0.89 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3042300 | 0.88 | CACNA1B (0.64) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15103434 | 0.87 | CACNA1B (0.67) | CACNA1BNR1I2CYP3A4CNR1POLB | |
| SCHEMBL3039594 | 0.86 | CACNA1B (0.58) | CACNA1BNR1I2CYP3A4CYP2D6CYP2C9 |
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 |