Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenadoxone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.59 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.59 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.51 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.51 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.51 |
| ▸ | DRD3 | P35462 | 2/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.51 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.51 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| Phenadoxone SCHEMBL2032631 | 0.98 | OPRM1 (0.62) | OPRM1OPRD1GRIN2DGRIN1GRIN2A | |
| Phenadoxone SCHEMBL25165 | 0.96 | OPRM1 (0.63) | OPRM1OPRD1GRIN2DGRIN1GRIN2A | |
| Phenadoxone SCHEMBL11319633 | 0.93 | OPRM1 (0.57) | OPRM1OPRD1GRIN2DGRIN1GRIN2A | |
| Dipipanone SCHEMBL392119 | 0.85 | OPRM1 (0.56) | OPRM1OPRD1GRIN2DGRIN1GRIN2A | |
| Dipipanone SCHEMBL25367 | 0.84 | OPRM1 (0.57) | OPRM1OPRD1GRIN2DGRIN1GRIN2A | |
| Phenadoxone SCHEMBL6912655 | 0.82 | TSHR (0.48) | OPRM1OPRD1SMN1; SMN2ALDH1A1LMNA | |
| Dextromoramide SCHEMBL29395675 | 0.80 | SMN1; SMN2 (0.51) | OPRM1OPRD1KCNA5SMN1; SMN2ALDH1A1 | |
| SCHEMBL9917093 | 0.78 | OPRM1 (0.50) | OPRM1OPRD1GRIN2DGRIN1GRIN2A | |
| Dextromoramide SCHEMBL29581857 | 0.75 | SMN1; SMN2 (0.46) | OPRM1OPRD1KCNA5SMN1; SMN2ALDH1A1 | |
| Methadone SCHEMBL28568253 | 0.73 | GRIN1 (0.91) | OPRM1OPRD1GRIN2DGRIN1GRIN2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0192885-B1 | HALOGENATED BISPHENOL A ETHER FLAME RETARDANT FOR ABS POLYMERS | GREAT LAKES CHEMICAL CORPORATION (US) | 1991-03-13 | — | — | EP | disclosed |
| EP-0192885-A2 | Halogenated bisphenol a ether flame retardant for ABS polymers | GREAT LAKES CHEMICAL CORPORATION (US) | 1986-09-03 | — | — | EP | disclosed |
| US-4567218-A | ACRYLONITRILE-BUTADIENE-STRYENE TERPOLYMER | GREAT LAKES CHEMICAL CORPORATION (US) | 1986-01-28 | — | — | US | disclosed |
| US-4258175-A | BY REACTING A HALOGENATED DIPHENOXY COMPOUND AND AN ALKYLENE DIHALIDE; REACTING THE HALOARYETHER WITH A HALOGENATED PHENOL | VELSICOL CHEMICAL CORPORATION (US) | 1981-03-24 | — | — | US | disclosed |