Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 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 SCHEMBL28266818 | 0.95 | ALDH1A1 (0.82) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL29112143 | 0.95 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL232628 | 0.95 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL28843487 | 0.95 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL29055253 | 0.95 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.95 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106133988-B | Electrolyte and electrochemical device | 大金工业株式会社 | 2019-11-26 | — | — | CN | disclosed |
| CN-110326150-A | Nonaqueous electrolyte solution and electricity storage device | 三菱化学株式会社 | 2019-10-11 | — | — | CN | disclosed |
| CN-105830272-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2019-08-06 | — | — | CN | disclosed |
| CN-106133987-B | Electrolyte and electrochemical device | 大金工业株式会社 | 2019-07-09 | — | — | CN | disclosed |
| CN-108496233-A | Electrode uses the capacitor of electrode and the manufacturing method of electrode | 日本贵弥功株式会社 | 2018-09-04 | — | — | CN | disclosed |
| CN-105591154-B | The all solid state serondary lithium battery and its preparation of polycarbonate-based full solid state polymer electrolyte and its composition and application | 中国科学院青岛生物能源与过程研究所 | 2018-05-25 | — | — | CN | disclosed |
| CN-105580180-B | Polymer dielectric film and its manufacture method and the membrane electrode assembly including the film | 可隆工业株式会社 | 2017-09-26 | — | — | CN | disclosed |
| CN-106133987-A | Electrolyte and electrochemical device | 大金工业株式会社 | 2016-11-16 | — | — | CN | disclosed |
| CN-106133988-A | Electrolyte and electrochemical device | 大金工业株式会社 | 2016-11-16 | — | — | CN | disclosed |
| CN-105830272-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2016-08-03 | — | — | CN | disclosed |
| CN-105811002-A | Organic and inorganic composite all-solid-state electrolyte and all-solid-state battery formed from same | 中国科学院青岛生物能源与过程研究所 | 2016-07-27 | — | — | CN | disclosed |
| CN-105591154-A | Polycarbonate all-solid-state polymer electrolyte, all-solid-state secondary lithium battery made of same and preparation and application thereof | QINGDAO INST BIOENERGY & BIOPROCESS TECHNOLOGY CAS | 2016-05-18 | — | — | CN | disclosed |
| CN-104685693-A | Electrolyte solution, electrochemical device, lithium battery, and module | DAIKIN IND LTD | 2015-06-03 | — | — | CN | disclosed |