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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | DGKA | P23743 | 1/20 | 0.50 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | PRKCA | P17252 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL29906133 | 0.97 | KDM4E (0.61) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Acetic Acid SCHEMBL28211368 | 0.92 | USP2 (0.63) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Heptylacetate SCHEMBL3680248 | 0.92 | ALDH1A1 (0.57) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Cetyl Alcohol SCHEMBL27468473 | 0.89 | LMNA (0.59) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Cetostearyl Alcohol SCHEMBL27603933 | 0.89 | LMNA (0.59) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Hexyl Acetate SCHEMBL27795514 | 0.89 | ALDH1A1 (0.61) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Acetic Acid Pentyl Ester SCHEMBL27372452 | 0.87 | ALDH1A1 (0.63) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Stearic Acid SCHEMBL15939441 | 0.86 | MEN1 (0.65) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Stearic Acid SCHEMBL27760235 | 0.86 | MEN1 (0.65) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Dodecanoate SCHEMBL27694783 | 0.86 | MEN1 (0.65) | KDM4EDUSP3MEN1KMT2ALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102742587-B | Local topical administration formulations containing indoxacarb | DU PONT | 2014-06-25 | — | — | CN | disclosed |
| CN-101583278-B | Local external application preparation containing indoxacarb | DU PONT | 2013-07-10 | — | — | CN | disclosed |
| CN-102742587-A | Local topical administration formulations containing indoxacarb | DU PONT | 2012-10-24 | — | — | CN | disclosed |
| CN-101583278-A | Local external application preparation containing indoxacarb | DU PONT (US) | 2009-11-18 | — | — | CN | disclosed |