Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 5/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.42 |
| ▸ | DPP4 | P27487 | 4/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3036536 | 1.00 | CACNA1B (0.50) | CACNA1BOPRD1NR1I2CYP3A4DPP7 | |
| Trifluoroacetic Acid SCHEMBL3038945 | 1.00 | CACNA1B (0.50) | CACNA1BOPRD1NR1I2CYP3A4DPP7 | |
| SCHEMBL15103461 | 0.97 | CACNA1B (0.53) | CACNA1BOPRD1NR1I2CYP3A4MGLL | |
| SCHEMBL13221491 | 0.97 | CACNA1B (0.53) | CACNA1BOPRD1NR1I2CYP3A4MGLL | |
| Trifluoroacetic Acid SCHEMBL3032227 | 0.93 | CACNA1B (0.53) | CACNA1BOPRD1NR1I2CYP3A4DPP7 | |
| SCHEMBL13221497 | 0.91 | CACNA1B (0.55) | CACNA1BOPRD1NR1I2CYP3A4USP2 | |
| Trifluoroacetic Acid SCHEMBL3128776 | 0.87 | CACNA1B (0.47) | CACNA1BOPRD1NR1I2CYP3A4DPP7 | |
| SCHEMBL3040617 | 0.84 | CACNA1B (0.52) | CACNA1BNR1I2CYP3A4MGLLCNR1 | |
| SCHEMBL3030962 | 0.84 | CACNA1B (0.52) | CACNA1BNR1I2CYP3A4MGLLCNR1 | |
| SCHEMBL8042064 | 0.83 | OPRD1 (0.55) | CACNA1BOPRD1DPP7DPP8DPP4 |
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 |