Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 |
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 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 |
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 SCHEMBL28881445 | 0.98 | ALDH1A1 (0.86) | ALDH1A1ATMTSHRHPGDLMNA | |
| Acetic Acid Butyl Ester SCHEMBL28080191 | 0.98 | ALDH1A1 (0.86) | ALDH1A1ATMTSHRHPGDLMNA | |
| Acetic Acid Butyl Ester SCHEMBL27846501 | 0.98 | ALDH1A1 (0.86) | ALDH1A1ATMTSHRHPGDLMNA | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRHPGDLMNA | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRHPGDLMNA | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRHPGDLMNA | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL18262002 | 0.93 | ALDH1A1 (0.78) | ALDH1A1ATMTSHRHPGDLMNA | |
| Acetic Acid Pentyl Ester SCHEMBL2015682 | 0.93 | ALDH1A1 (0.77) | ALDH1A1ATMTSHRLMNAHSD17B10 |
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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118255660-A | Antibacterial gallic acid bio-based photosensitive monomer and preparation method and application thereof | 华北理工大学 | 2024-06-28 | — | — | CN | claimed |
| CN-116920003-B | Method for extracting total flavonoids from evening primrose | 河北瑞龙生物科技有限公司 | 2024-06-07 | — | — | CN | claimed |
| CN-116920003-A | Method for extracting total flavonoids from evening primrose | 河北瑞龙生物科技有限公司 | 2023-10-24 | — | — | CN | claimed |
| CN-116189958-A | Low-temperature conductive paste composition, low-temperature conductive paste, conductive coating, electrode and heterojunction solar cell | 河北光兴半导体技术有限公司 | 2023-05-30 | — | — | CN | claimed |
| CN-114316333-B | Wear-resistant antifouling hardened film and preparation method thereof | 江苏怡丽科姆新材料股份有限公司 | 2022-11-22 | — | — | CN | claimed |
| CN-107998112-B | Co-amorphous substance of curcumin-ursodeoxycholic acid and preparation method thereof | 沈阳药科大学 | 2020-03-17 | — | — | CN | claimed |
| CN-107200846-B | Sulfur-containing optical resin material with high transmittance and high refractive index and preparation method thereof | 江苏视科新材料股份有限公司 | 2020-02-21 | — | — | CN | claimed |
| CN-106634391-B | A kind of high-efficiency pollution-proof dodges composite coating and preparation method thereof | 昆明理工大电力工程技术有限公司 | 2019-07-30 | — | — | CN | claimed |
| CN-107998112-A | A kind of common amorphous substance of curcumin-urso and preparation method thereof | 沈阳药科大学 | 2018-05-08 | — | — | CN | claimed |
| CN-101613314-B | Preparation method of antihypertensive drug felodipine | HEFEI LIFEON PHARMACEUTIAL CO | 2011-11-09 | — | — | CN | claimed |
| CN-101613314-A | The preparation method of antihypertensive drug felodipine | HEFEI LIFANG MEDICATION CO LTD | 2009-12-30 | — | — | CN | claimed |
| US-20050172985-A1 | Method for Stripping Cured Paint from Low Temperature Plastic Substrates | MILES SAMUEL L (US) | 2005-08-11 | — | — | US | claimed |
| JP-60050845-A | — | — | None | — | — | JP | disclosed |
| JP-60109145-A | — | — | None | — | — | JP | disclosed |
| JP-5325660-A | — | — | None | — | — | JP | disclosed |
| CN-118255660-A | Antibacterial gallic acid bio-based photosensitive monomer and preparation method and application thereof | 华北理工大学 | 2024-06-28 | — | — | CN | disclosed |
| US-4482551-A | ANTIBIOTICS, BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1984-11-13 | — | — | US | disclosed |
| US-4456775-A | Catalytic process for manufacturing alcohols by hydrogenolysis of carboxylic acid esters | INSTITUT FRANCAIS DU PETROLE (FR) | 1984-06-26 | — | — | US | disclosed |
| EP-0024872-B1 | A METHOD OF TREATING EXPOSED AND DEVELOPED RADIATION SENSITIVE PLATES IN LITHOGRAPHIC PRINTING PLATE PRODUCTION, COMPOSITIONS FOR USE IN THE METHOD, AND THE USE OF DIAZO ELIMINATING COMPOUNDS IN IMPROVING THE INK RECEPTIVITY OF LITHOGRAPHIC PRINTING IMAGES | Vickers Limited (GB) | 1984-03-14 | — | — | EP | disclosed |
| EP-0024872-A1 | A method of treating exposed and developed radiation sensitive plates in lithographic printing plate production, compositions for use in the method, and the use of diazo eliminating compounds in improving the ink receptivity of lithographic printing images | Vickers Limited (GB) | 1981-03-11 | — | — | EP | disclosed |