Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Isobutyl 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 | 0.36 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
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 Isobutyl Ester SCHEMBL28725272 | 1.00 | TSHR (0.54) | TSHRTDP1ALDH1A1LMNAHSD17B10 | |
| Acetic Acid Isobutyl Ester SCHEMBL28759612 | 0.97 | TSHR (0.52) | TSHRTDP1ALDH1A1LMNAHSD17B10 | |
| Acetic Acid Isobutyl Ester SCHEMBL27572527 | 0.95 | TSHR (0.58) | TSHRTDP1ALDH1A1LMNAHSD17B10 | |
| Acetic Acid Isobutyl Ester SCHEMBL22678 | 0.95 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL28095412 | 0.92 | TSHR (0.52) | TSHRTDP1ALDH1A1LMNAHSD17B10 | |
| Acetic Acid Isobutyl Ester SCHEMBL18229923 | 0.92 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL28592812 | 0.92 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL1533352 | 0.92 | TSHR (0.56) | TSHRTDP1ALDH1A1LMNAHSD17B10 | |
| Acetic Acid Isobutyl Ester SCHEMBL21641877 | 0.92 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL28806927 | 0.92 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116496657-A | Remover for removing coating layer of printed board assembly as well as preparation method and application thereof | 陕西烽火电子股份有限公司 | 2023-07-28 | — | — | CN | claimed |
| US-20230271947-A1 | SALT AND CRYSTAL FORM OF KETOHEXOKINASE INHIBITOR AND USE THEREOF | Xuanzhu Biopharmaceutical Co., Ltd. (CN) | 2023-08-31 | — | — | US | disclosed |
| CN-113999212-B | Salts, crystalline forms and uses of ketohexokinase inhibitors | 山东轩竹医药科技有限公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-116496657-A | Remover for removing coating layer of printed board assembly as well as preparation method and application thereof | 陕西烽火电子股份有限公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-116496657-A | Remover for removing coating layer of printed board assembly as well as preparation method and application thereof | 陕西烽火电子股份有限公司 | 2023-07-28 | — | — | CN | disclosed |
| EP-4190776-A1 | SALT AND CRYSTAL FORM OF KETOHEXOKINASE INHIBITOR AND USE THEREOF | Shandong Xuanzhu Pharma Co., Ltd. (CN) | 2023-06-07 | — | — | EP | disclosed |
| US-11661565-B2 | Odorous acetals of ethyl vanillin and ethyl vanillin derivatives | S H KELKAR & COMPANY LIMITED | 2023-05-30 | — | — | US | disclosed |
| CN-113999212-A | Salts, crystalline forms and uses of ketohexokinase inhibitors | 山东轩竹医药科技有限公司 | 2022-02-01 | — | — | CN | disclosed |
| US-20200399560-A1 | ODOROUS ACETALS OF ETHYL VANILLIN AND ETHYL VANILLIN DERIVATIVES | S H KELKAR & COMPANY LIMITED (IN) | 2020-12-24 | — | — | US | disclosed |
| CN-103274931-A | Solvent for separating carboxylic acid mixtures by extraction and rectification | UNIV CHINA PETROLEUM | 2013-09-04 | — | — | CN | disclosed |
| WO-2011056935-A1 | DELIVERY PARTICLE | THE PROCTER & GAMBLE COMPANY (US) | 2011-05-12 | — | — | WO | disclosed |
| EP-1858891-A2 | CRYSTALLINE FORMS OF ZIPRASIDONE MESYLATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006098834-A9 | CRYSTALLINE FORMS OF ZIPRASIDONE MESYLATE | TEVA PHARMA (IL) | 2007-07-12 | — | — | WO | disclosed |
| US-20060270684-A1 | Crystalline forms of ziprasidone mesylate | TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) | 2006-11-30 | — | — | US | disclosed |
| WO-2006098834-A2 | CRYSTALLINE FORMS OF ZIPRASIDONE MESYLATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2006-09-21 | — | — | WO | disclosed |
| WO-2005069837-A2 | NON-AQUEOUS COMPOSITIONS FOR TREATMENT OF ORTHOPEDIC DEFECTS AND DELIVERY OF BIOACTIVE AGENTS | ROYER BIOMEDICAL, INC. (US) | 2005-08-04 | — | — | WO | disclosed |
| EP-1541642-A1 | Markable powder coating comprising a magnetic interference pigment | ROHM AND HAAS COMPANY (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20050123764-A1 | Markable powder and interference pigment containing coatings | HOFFMANN RENE C (US) | 2005-06-09 | — | — | US | disclosed |
| JP-2004315458-A | METHOD FOR REFINING EPISULFIDE COMPOSITION | MITSUI CHEMICALS INC | 2004-11-11 | — | — | JP | disclosed |
| EP-0474843-A1 | METHOD FOR PREPARING 1,4-DIACYLOXY-2-BUTENES | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1992-03-18 | — | — | EP | 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 (4 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-11661565-B2 | Odorous acetals of ethyl vanillin and ethyl vanillin derivatives | TAS2R8, CREBBP, TAS2R5 | CHRNB4 4264/4885CHRNA3 3714/4885TSHR 4787/4885 |
| US-20230271947-A1 | SALT AND CRYSTAL FORM OF KETOHEXOKINASE INHIBITOR AND USE THEREOF | KHK, HK1, HKDC1 | CHRNB4 4853/4885CHRNA3 4866/4885TSHR 3782/4885 |
| US-20200399560-A1 | ODOROUS ACETALS OF ETHYL VANILLIN AND ETHYL VANILLIN DERIVATIVES | TAS2R8, CREBBP, TAS2R5 | CHRNB4 4264/4885CHRNA3 3714/4885TSHR 4787/4885 |
| US-20060270684-A1 | Crystalline forms of ziprasidone mesylate | SLC39A3, ZNF277, SLC39A11 | CHRNB4 773/4885CHRNA3 166/4885TSHR 1413/4885 |
“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.