Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 16/20 | 0.70 |
| ▸ | OPRK1 | P41145 | 13/20 | 0.70 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.68 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.60 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.60 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL12997002 | 0.92 | OPRM1 (0.78) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL13045239 | 0.92 | OPRM1 (0.78) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL1705344 | 0.92 | OPRM1 (0.78) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL3726859 | 0.92 | OPRM1 (0.74) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL3763241 | 0.92 | OPRM1 (0.78) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL1705349 | 0.92 | OPRM1 (0.78) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL12555224 | 0.91 | OPRM1 (0.73) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL12587737 | 0.91 | OPRM1 (0.73) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL12997060 | 0.91 | OPRM1 (0.73) | OPRM1OPRK1OPRD1KCNE1KCNQ1 | |
| SCHEMBL3762689 | 0.89 | OPRM1 (0.69) | OPRM1OPRK1OPRD1KCNE1KCNQ1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |