Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 6/20 | 0.46 |
| ▸ | MAPK7 | Q13164 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3135313 | 0.86 | CACNA1B (0.46) | CACNA1BMAPK7HSD11B1MGLLCYP3A4 | |
| SCHEMBL3025678 | 0.85 | CACNA1B (0.55) | CACNA1BMAPK7HSD11B1MGLLCYP3A4 | |
| SCHEMBL3133586 | 0.82 | CACNA1B (0.55) | CACNA1BCYP3A4 | |
| SCHEMBL3133812 | 0.81 | CACNA1B (0.56) | CACNA1BHSD11B1MGLLCYP3A4PKLR | |
| SCHEMBL3036583 | 0.79 | CACNA1B (0.54) | CACNA1BMAPK7HSD11B1MGLLCYP3A4 | |
| SCHEMBL8040721 | 0.77 | CACNA1B (0.53) | CACNA1BMAPK7HSD11B1MGLLCYP3A4 | |
| SCHEMBL8047041 | 0.75 | CACNA1B (0.51) | CACNA1BMAPK7HSD11B1MGLLCYP3A4 | |
| SCHEMBL3264874 | 0.74 | CACNA1B (0.48) | CACNA1BCYP3A4 | |
| SCHEMBL13560483 | 0.74 | CACNA1B (0.41) | CACNA1BCYP3A4 | |
| SCHEMBL8050826 | 0.73 | CACNA1B (0.58) | CACNA1BCYP3A4ALDH1A1GLAMAPT |
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 |