Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ethohexadiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ethohexadiol SCHEMBL27591299 | 0.93 | LMNA (0.79) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL9210784 | 0.85 | LMNA (0.64) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL27495773 | 0.84 | LMNA (0.70) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL6282991 | 0.82 | LMNA (1.00) | LMNATDP1TSHR | |
| Ethohexadiol SCHEMBL38007 | 0.82 | LMNA (1.00) | LMNATDP1TSHR | |
| Ethohexadiol SCHEMBL8956224 | 0.82 | LMNA (0.68) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL27752616 | 0.82 | LMNA (0.68) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL9775641 | 0.81 | LMNA (0.73) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL6701152 | 0.81 | LMNA (0.73) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL6150812 | 0.81 | LMNA (0.86) | LMNACHRM1AKR1A1CHRM3HTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1729365-B1 | NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME | UBE INDUSTRIES (JP) | 2010-12-22 | — | — | EP | disclosed |
| US-20080241704-A1 | Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same | UBE INDUSTRIES, LTD (JP) | 2008-10-02 | — | — | US | disclosed |
| EP-1729365-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME | Ube Industries, Ltd. (JP) | 2006-12-06 | — | — | EP | disclosed |