Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.90 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
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 SCHEMBL29055253 | 1.00 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL29112143 | 1.00 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL28843487 | 1.00 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL11478404 | 0.98 | ALDH1A1 (0.86) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL10618705 | 0.95 | ALDH1A1 (0.82) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL28020932 | 0.95 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMHCAR2TSHRHPGD |
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 243 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116043571-B | Composite suede lotus leaf bionic scientific and technological cloth sofa and preparation method thereof | 海宁高点家具有限公司 | 2024-07-30 | — | — | CN | claimed |
| CN-116656234-A | Anti-fouling Gao Wenban matte varnish and preparation method and application thereof | 东来涂料技术（上海）股份有限公司 | 2023-08-29 | — | — | CN | claimed |
| CN-116660194-A | Online detection device and method for organic release matters in explosive granulation process | 中国工程物理研究院化工材料研究所 | 2023-08-29 | — | — | CN | claimed |
| CN-116043571-A | Composite suede lotus leaf bionic scientific and technological cloth sofa and preparation method thereof | 海宁高点家具有限公司 | 2023-05-02 | — | — | CN | claimed |
| CN-111892889-A | Floor adhesive based on water-based acrylic resin and preparation process thereof | 崔伟荣 | 2020-11-06 | — | — | CN | claimed |
| CN-111775516-A | Flexible glass protective film and preparation method thereof | 深圳市华健丰科技有限公司 | 2020-10-16 | — | — | CN | claimed |
| CN-111372434-A | Preparation method of 5G ceramic filter electrosilvering-simulated electromagnetic wave shield | 广东四维新材料有限公司 | 2020-07-03 | — | — | CN | claimed |
| CN-105241881-B | A kind of method of impurity content in detection cellulose nitrate | 四川北方硝化棉股份有限公司 | 2018-06-29 | — | — | CN | claimed |
| CN-105304882-A | Preparation method of lithium-sulfur battery cathode material, lithium-sulfur battery cathode material and battery | CHINESE ACAD PHYSICS INST | 2016-02-03 | — | — | CN | claimed |
| US-20070154423-A1 | Nail varnish comprising a cellulose ester and short ester solvents in a defined ratio | L'OREAL (FR) | 2007-07-05 | — | — | US | claimed |
| JP-2005523252-A | — | — | 2005-08-04 | — | — | JP | claimed |
| US-6709764-B1 | HAVING CAPACITY TO ABSORB THERMOSETTING RESIN UNIFORMLY AT REDUCED LEVEL; SIZING AGENT FREE | Wiggins, Arjo (FR) | 2004-03-23 | — | — | US | claimed |
| WO-2003061554-A2 | COMPOSITION CONTAINING MOUTAN ROOT BARK EXTRACT AS ACTIVE INGREDIENT | MICRO SCIENCE TECH CO., LTD (KR) | 2003-07-31 | — | — | WO | claimed |
| CN-118421198-A | Preparation method of polysilazane anticorrosive paint capable of replacing hot galvanizing | 国网山西省电力公司太原供电公司 | 2024-08-02 | — | — | CN | disclosed |
| CN-116043571-B | Composite suede lotus leaf bionic scientific and technological cloth sofa and preparation method thereof | 海宁高点家具有限公司 | 2024-07-30 | — | — | CN | disclosed |
| CN-118103465-A | Coating composition, coated article, and method for forming cured film | 信越化学工业株式会社 | 2024-05-28 | — | — | CN | disclosed |
| EP-0227301-A2 | Process for the preparation of N-formyl-alpha-L-aspartyl-L-phenylalanine methyl ester | AJINOMOTO CO., INC. (JP) | 1987-07-01 | — | — | EP | disclosed |
| US-4431763-A | POLYURETHANE, WATER, ALIPHATIC ALCOHOL | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1984-02-14 | — | — | US | disclosed |
| US-4283512-A | COPOLYMERIZING A POLYMERIC DIACYL PEROXIDE WITH AN UNSATURATED MONOMER | NIPPON OIL AND FATS CO., LTD. (JP) | 1981-08-11 | — | — | US | disclosed |
| US-4113540-A | VINYL ACETATE-ACRYLATE OR METHACRYLATE POLYMER, ACRYLATE OR METHACRYLATE OF A POLYOL, LAMINATION | CELANESE CORPORATION (US) | 1978-09-12 | — | — | US | disclosed |