Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Ethyl Acetate. 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 | |
|---|---|---|---|---|
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.40 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.40 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.88 |
| ▸ | LMNA | P02545 | 1/20 | 0.88 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.88 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL1017696 | 1.00 | — | — | |
| Ethyl Acetate SCHEMBL8496182 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL734237 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL2723060 | 0.97 | ALDH1A1 (0.93) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL16267234 | 0.97 | ALDH1A1 (0.93) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL508898 | 0.97 | ALDH1A1 (0.93) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL18237169 | 0.97 | ALDH1A1 (0.93) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL2516267 | 0.97 | ALDH1A1 (0.93) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL1150646 | 0.97 | ALDH1A1 (0.93) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL5036694 | 0.97 | ALDH1A1 (0.93) | ALDH1A1LMNAHSD17B10TSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6086661-A | (A)IMIDAZOLINIUM QUATERNARY SALT, (B) PHOSPHONIUM QUATERNARY SALT, OR (C) AN AMMONIUM QUATERNARY SALT; A PAPER-CURL REDUCING COMPOUND; DYE; STABILIZERS, BIOCIDE, WATER SOLUBLE SALT | XEROX CORPORATION (US) | 2000-07-11 | — | — | US | disclosed |