Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.51 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.43 |
| ▸ | CFD | P00746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | UBE2M | P61081 | 1/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8042064 | 0.91 | OPRD1 (0.55) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 | |
| SCHEMBL13221497 | 0.85 | CACNA1B (0.55) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 | |
| Trifluoroacetic Acid SCHEMBL3032227 | 0.83 | CACNA1B (0.53) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 | |
| SCHEMBL8050179 | 0.81 | TACR1 (0.44) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 | |
| SCHEMBL15103461 | 0.78 | CACNA1B (0.53) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 | |
| SCHEMBL13221491 | 0.78 | CACNA1B (0.53) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 | |
| Trifluoroacetic Acid SCHEMBL3128776 | 0.77 | CACNA1B (0.47) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 | |
| SCHEMBL8032644 | 0.77 | PDK2 (0.45) | CACNA1BEPHX2UBE2MDCUN1D1 | |
| Trifluoroacetic Acid SCHEMBL3135151 | 0.77 | CACNA1B (0.50) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 | |
| Trifluoroacetic Acid SCHEMBL3038945 | 0.77 | CACNA1B (0.50) | CACNA2D1CACNA1BCACNB1CACNA1COPRD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |