Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 9/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.56 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PKLR | P30613 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | UBE2M | P61081 | 1/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3042698 | 1.00 | CACNA1B (0.56) | CACNA1BCYP3A4NR1I2SMYD3KMT2A | |
| SCHEMBL3035933 | 1.00 | CACNA1B (0.56) | CACNA1BCYP3A4NR1I2SMYD3KMT2A | |
| SCHEMBL3035688 | 0.92 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2CYP2C19CYP2D6 | |
| SCHEMBL8048097 | 0.90 | CACNA1B (0.55) | CACNA1BCYP3A4NR1I2SMYD3KMT2A | |
| SCHEMBL14701494 | 0.90 | CACNA1B (0.55) | CACNA1BCYP3A4NR1I2SMYD3KMT2A | |
| Hydrochloric Acid SCHEMBL3041722 | 0.89 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2SMYD3 | |
| Trifluoroacetic Acid SCHEMBL3032929 | 0.88 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2SMYD3 | |
| SCHEMBL3136630 | 0.87 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL13221503 | 0.87 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3031850 | 0.86 | CACNA1B (0.51) | CACNA1BCYP3A4NR1I2SMYD3KMT2A |
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 3 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 |
| EP-2205083-B1 | Substituted aryl sulfone derivatives as calcium channel blockers | MERCK SHARP & DOHME (US) | 2013-07-17 | — | — | EP | disclosed |