Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 14/20 | 0.57 |
| ▸ | OPRD1 | P41143 | 14/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 11/20 | 0.47 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.46 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1705331 | 0.90 | OPRM1 (0.71) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL12555173 | 0.84 | OPRM1 (0.62) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL3762365 | 0.82 | OPRM1 (0.61) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL3762448 | 0.82 | OPRM1 (0.61) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL3759736 | 0.81 | OPRM1 (0.59) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL3759739 | 0.81 | OPRM1 (0.59) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL3762367 | 0.75 | OPRM1 (0.47) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL1705801 | 0.75 | OPRM1 (0.47) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL6797186 | 0.75 | OPRM1 (0.75) | OPRM1OPRD1OPRK1KCNE1KCNQ1 | |
| SCHEMBL6483791 | 0.75 | OPRM1 (0.61) | OPRM1OPRD1OPRK1 |
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-2440525-A1 | (S) -2-BENZYL-3- ( (3R, 4R) -4- (3 -CARBAMO YLPHENYL) -3, 4-DIMETHYLPIPERIDINYL) PROPANOIC ACID AND SALT THEROF AS ANTAGONISTS OF THE OPIOID RECEPTORS | Adolor Corporation (US) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144446-A1 | (S) -2-BENZYL-3- ( (3R, 4R) -4- (3 -CARBAMO YLPHENYL) -3, 4-DIMETHYLPIPERIDINYL) PROPANOIC ACID AND SALT THEROF AS ANTAGONISTS OF THE OPIOID RECEPTORS | ADOLOR CORPORATION (US) | 2010-12-16 | — | — | WO | disclosed |