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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 SCHEMBL25322004 | 0.97 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL6509098 | 0.97 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL106607 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL7622558 | 0.95 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL29220687 | 0.95 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL28946360 | 0.91 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL22091899 | 0.91 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Hexane SCHEMBL29266096 | 0.90 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2 | |
| Cyclohexane SCHEMBL2076849 | 0.90 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL7091348 | 0.89 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9556424-B2 | 1-deoxy-D-xylulose 5-phosphate synthase alleles responsible for enhanced terpene biosynthesis | GENOPLANTE-VALOR (FR) | 2017-01-31 | — | — | US | disclosed |
| CN-103429612-A | 1-deoxy-d-xylulose 5-phosphate synthase alleles responsible for enhanced terpene biosynthesis | GENOPLANTE VALOR | 2013-12-04 | — | — | CN | disclosed |
| US-20130276166-A1 | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE ALLELES RESPONSIBLE FOR ENHANCED TERPENE BIOSYNTHESIS | GENOPLANTE-VALOR (FR) | 2013-10-17 | — | — | US | disclosed |
| US-8389703-B1 | Ribonucleoside analogs with novel hydrogen bonding patterns | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-03-05 | — | — | US | disclosed |
| US-8324177-B2 | Triterpene compositions and methods for use thereof | RESEARCH DEVELOPMENT FOUNDATION (US) | 2012-12-04 | — | — | US | disclosed |
| US-20110294752-A1 | TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF | RESEARCH DEVELOPMENT FOUNDATION (US) | 2011-12-01 | — | — | US | disclosed |
| EP-1079824-B1 | TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF | RES DEV FOUNDATION (US) | 2011-08-31 | — | — | EP | disclosed |
| US-7985435-B2 | Triterpene compositions and methods for use thereof | RESEARCH DEVELOPMENT FOUNDATION (US) | 2011-07-26 | — | — | US | disclosed |
| US-20100189824-A1 | TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF | ARNTZEN CHARLES J | 2010-07-29 | — | — | US | disclosed |
| US-7670632-B2 | Triterpene compositions and methods for use thereof | RESEARCH DEVELOPMENT FOUNDATION (US) | 2010-03-02 | — | — | US | disclosed |
| WO-1995021180-A1 | SUBSTITUTED LACTOSE DERIVATIVES AS CELL ADHESION INHIBITORS | GLYCOMED INCORPORATED (US) | 1995-08-10 | — | — | WO | disclosed |
| US-4935505-A | NUCLEOSIDES; ADENOSINE DEAMINASE INHIBITORS | TOWNSEND LEROY B (US) | 1990-06-19 | — | — | US | disclosed |
| EP-0090405-B1 | NOVEL AZOLE DINUCLEOTIDE COMPOUNDS AND METHODS FOR THEIR PRODUCTION | BRIGHAM YOUNG UNIVERSITY (US) | 1986-06-25 | — | — | EP | disclosed |
| US-4594415-A | Viricides | ROBINS ROLAND K (US) | 1986-06-10 | — | — | US | disclosed |
| US-4544741-A | Azole dinucleotide compounds and methods for their production | BRIGHAM YOUNG UNIVERSITY, PROVO, UT., A NONPROFIT CORP. OF UT | 1985-10-01 | — | — | US | disclosed |
| EP-0028083-B1 | DERIVATIVES OF CLAVULANIC ACID, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1984-02-08 | — | — | EP | disclosed |
| EP-0090405-A1 | Novel azole dinucleotide compounds and methods for their production | BRIGHAM YOUNG UNIVERSITY (US) | 1983-10-05 | — | — | EP | disclosed |
| US-4246408-A | Imidazo[1,2-a]-s-triazine | ICN PHARMACEUTICALS (US) | 1981-01-20 | — | — | US | disclosed |
| US-4223143-A | PYRAZOLO-QUINAZOLIN-ONES, CONTROLLING URIC ACID CONCENTRATION, GOUT, XANTHINE OXIDASE | SIEGFRIED AKTIENGESELLSCHAFT (CH) | 1980-09-16 | — | — | US | disclosed |
| US-4093624-A | MICROBIOCIDE | ICN PHARMACEUTICALS, INC. (US) | 1978-06-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110294752-A1 | TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF | OSTC, ACACA, NFATC1 | CHRM2 2519/4885CHRM4 2170/4885HTR1A 4795/4885 |
| US-20100189824-A1 | TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF | OSTC, ACACA, NFATC1 | CHRM2 2519/4885CHRM4 2170/4885HTR1A 4795/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.