Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Acetic Acid Butyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.78 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL16007831 | 0.98 | ALDH1A1 (0.82) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL1556184 | 0.98 | ALDH1A1 (0.82) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL10487153 | 0.98 | ALDH1A1 (0.82) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL11216308 | 0.96 | ALDH1A1 (0.72) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL9131212 | 0.94 | ALDH1A1 (0.75) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL4628873 | 0.93 | ALDH1A1 (0.82) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL27507374 | 0.92 | ALDH1A1 (0.72) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL27364781 | 0.92 | ALDH1A1 (0.72) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL28565593 | 0.91 | ALDH1A1 (0.78) | ALDH1A1ATMACHETSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL125717 | 0.91 | ALDH1A1 (0.86) | ALDH1A1ATMACHETSHRHPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104860819-B | Transformation and heat pump distillation integrated separation butyl acetate and the method and system of n-butanol | 中建安装工程有限公司 | 2017-06-16 | — | — | CN | disclosed |
| CN-204767510-U | System for vary voltage and heat pump rectification coupling separation butyl acetate and n -butanol | CCEED IND EQUIPMENT INSTALLATION CO LTD | 2015-11-18 | — | — | CN | disclosed |
| CN-100579618-C | Diversion trench shaped catalyst orderly filling component in plate-type reaction rectifying tower | NANJING UNIVERSITY OF TECHNOLOGY | 2010-01-13 | — | — | CN | disclosed |
| CN-101274146-A | Diversion trench shaped catalyst orderly filling component in rectifying tower | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2008-10-01 | — | — | CN | disclosed |
| US-4718989-A | PHTHALATE | BERG LLOYD (US) | 1988-01-12 | — | — | US | disclosed |
| US-4693789-A | IN RECTIFICATION COLUMN USING AN HYDROXYAMINE | BERG LLOYD | 1987-09-15 | — | — | US | disclosed |
| US-4666560-A | BENZOATE OR NITRO PARAFFIN AS EXTRACTIVE AGENT | BERG LLOYD | 1987-05-19 | — | — | US | disclosed |
| US-4507176-A | ADDING AN ACETAMIDE | BERG LLOYD | 1985-03-26 | — | — | US | disclosed |