Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 5/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.51 |
| ▸ | CACNB1 | Q02641 | 5/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4563537 | 0.90 | CACNA2D1 (0.43) | CACNA2D1CACNA1BCACNB1CACNA1COPRM1 | |
| SCHEMBL4419615 | 0.84 | OPRD1 (0.39) | CACNA2D1CACNA1BCACNB1CACNA1COPRM1 | |
| SCHEMBL3859892 | 0.82 | CACNA1B (0.46) | CACNA2D1CACNA1BCACNB1CACNA1CCHRM3 | |
| SCHEMBL2794189 | 0.79 | CACNA2D1 (0.57) | CACNA2D1CACNA1BCACNB1CACNA1CCHRM3 | |
| SCHEMBL5023769 | 0.73 | KDM4E (0.43) | CHRM3CYP2D6 | |
| SCHEMBL646726 | 0.72 | CACNA2D1 (0.56) | CACNA2D1CACNA1BCACNB1CACNA1CCHRM3 | |
| SCHEMBL2791280 | 0.71 | CACNA2D1 (0.66) | CACNA2D1CACNA1BCACNB1CACNA1CCHRM3 | |
| SCHEMBL4427940 | 0.71 | CACNA2D1 (0.58) | CACNA2D1CACNA1BCACNB1CACNA1CCHRM3 | |
| SCHEMBL4414919 | 0.70 | OPRD1 (0.35) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL493711 | 0.70 | CACNA2D1 (0.54) | CACNA2D1CACNA1BCACNB1CACNA1CCHRM3 |
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-2061780-A1 | DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Neuromed Pharmaceuticals, Ltd. (CA) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008031227-A1 | DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2008-03-20 | — | — | WO | disclosed |