Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Heptylacetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | DGKA | P23743 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hexyl Acetate SCHEMBL27795514 | 0.96 | ALDH1A1 (0.61) | ALDH1A1USP2KDM4EDUSP3MEN1 | |
| Acetic Acid Pentyl Ester SCHEMBL27372452 | 0.95 | ALDH1A1 (0.63) | ALDH1A1USP2KDM4EDUSP3MEN1 | |
| Heptylacetate SCHEMBL27786255 | 0.92 | KDM4E (0.58) | ALDH1A1USP2KDM4EDUSP3MEN1 | |
| Acetic Acid Butyl Ester SCHEMBL28363431 | 0.89 | ALDH1A1 (0.72) | ALDH1A1USP2KDM4EDUSP3MEN1 | |
| SCHEMBL29906133 | 0.88 | KDM4E (0.61) | ALDH1A1USP2KDM4EDUSP3MEN1 | |
| Nonylacetate SCHEMBL8054597 | 0.87 | ALDH1A1 (0.74) | ALDH1A1LMNATSHRNAAAHCAR2 | |
| Dodecylacetate SCHEMBL8359359 | 0.87 | ALDH1A1 (0.74) | ALDH1A1LMNATSHRNAAAHCAR2 | |
| Octyl Acetate SCHEMBL3674843 | 0.87 | ALDH1A1 (0.74) | ALDH1A1LMNATSHRNAAAHCAR2 | |
| Nonylacetate SCHEMBL28469869 | 0.87 | ALDH1A1 (0.74) | ALDH1A1LMNATSHRNAAAHCAR2 | |
| Hexyl Acetate SCHEMBL20874997 | 0.87 | ALDH1A1 (0.74) | ALDH1A1LMNATSHRNAAAHCAR2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2687093-B1 | Local topical administration formulations containing indoxacarb | FMC CORP (US) | 2020-07-22 | — | — | EP | disclosed |
| US-9968617-B2 | Local topical administration formulations containing indoxacarb | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2018-05-15 | — | — | US | disclosed |
| EP-2066179-B1 | FORMULATIONS CONTAINING INDOXACARB FOR LOCAL TOPICAL ADMINISTRATION | DU PONT (US) | 2016-06-22 | — | — | EP | disclosed |
| US-20160008370-A1 | LOCAL TOPICAL ADMINISTRATION FORMULATIONS CONTAINING INDOXACARB | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2016-01-14 | — | — | US | disclosed |
| EP-2687093-A1 | Local topical administration formulations containing indoxacarb | E. I. Du Pont de Nemours and Company (US) | 2014-01-22 | — | — | EP | disclosed |
| US-20130345210-A1 | LOCAL TOPICAL ADMINISTRATION FORMULATIONS CONTAINING INDOXACARB | SCHERING-PLOUGH ANIMAL HEALTH CORPORATION | 2013-12-26 | — | — | US | disclosed |
| US-8475818-B2 | Local topical administration formulations containing indoxacarb | E. I. DE PONT DE NEMOURS AND COMPANY (US) | 2013-07-02 | — | — | US | disclosed |
| US-20100099668-A1 | LOCAL TOPICAL ADMINISTRATION FORMULATIONS CONTAINING INDOXACARB | FMC CORPORATION | 2010-04-22 | — | — | US | disclosed |
| EP-2066179-A2 | LOCAL TOPICAL ADMINISTRATION FORMULATIONS CONTAINING INDOXACARB | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008030385-A2 | LOCAL TOPICAL ADMINISTRATION FORMULATIONS CONTAINING INDOXACARB | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-03-13 | — | — | WO | 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 (3 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-20130345210-A1 | LOCAL TOPICAL ADMINISTRATION FORMULATIONS CONTAINING INDOXACARB | IDO1, MMP1, IDO2 | ALDH1A1 782/4885USP2 1938/4885KDM4E 1044/4885 |
| US-20100099668-A1 | LOCAL TOPICAL ADMINISTRATION FORMULATIONS CONTAINING INDOXACARB | IDO1, MMP1, IDO2 | ALDH1A1 782/4885USP2 1938/4885KDM4E 1044/4885 |
| US-20160008370-A1 | LOCAL TOPICAL ADMINISTRATION FORMULATIONS CONTAINING INDOXACARB | IDO1, MMP1, IDO2 | ALDH1A1 782/4885USP2 1938/4885KDM4E 1044/4885 |
“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.