Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ether. 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 | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Ether SCHEMBL3377966 | 0.96 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Acetic Acid SCHEMBL3382899 | 0.91 | CHRM1 (0.44) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ether SCHEMBL23130890 | 0.88 | ALDH1A1 (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ether SCHEMBL107913 | 0.84 | ALDH1A1 (0.35) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Acetic Acid SCHEMBL11353114 | 0.84 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Acetic Acid SCHEMBL11353075 | 0.84 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Acetic Acid SCHEMBL28196090 | 0.82 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Acetic Acid SCHEMBL29215809 | 0.82 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ether SCHEMBL1786734 | 0.82 | HSD17B10 (0.33) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ether SCHEMBL6679395 | 0.82 | ALDH1A1 (0.46) | HDAC1HDAC2TDP1TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105793361-A | Resin composition, thermally-conductive cured product, silicon compound, silane coupling agent composition and carrier | 株式会社ADEKA | 2016-07-20 | — | — | CN | disclosed |