Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nonylacetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | NAAA | Q02083 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 5/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Dodecylacetate SCHEMBL8359359 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Tridecylacetate SCHEMBL29005826 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Dodecylacetate SCHEMBL28108404 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Octyl Acetate SCHEMBL3674843 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Hexyl Acetate SCHEMBL20874997 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Hexadecyl Ester SCHEMBL27949949 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Nonylacetate SCHEMBL28469869 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Decylacetate SCHEMBL28902741 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Hexyl Acetate SCHEMBL8521052 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Pentyl Ester SCHEMBL28494908 | 0.98 | ALDH1A1 (0.77) | ALDH1A1NAAATSHREPHX1HCAR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1893910-A | Cyclic siloxane compositions for active ingredient release | GEN ELECTRIC (US) | 2007-01-10 | — | — | CN | claimed |
| CN-100366231-C | Terpenoid fragrance components stabilized with malonates | UNILEVER NV (NL) | 2008-02-06 | — | — | CN | disclosed |
| CN-100335026-C | Di-substituted resorcinols as skin lightening agents | UNILEVER PLC (NL) | 2007-09-05 | — | — | CN | disclosed |
| CN-1787800-A | Terpenoid fragrance components stabilized with malonic acid salts | UNILEVER NV (NL) | 2006-06-14 | — | — | CN | disclosed |
| CN-1720018-A | Di-substituted resorcinols as skin lightening agents | UNILEVER PLC (NL) | 2006-01-11 | — | — | CN | disclosed |
| EP-1001013-A1 | Process of cleaning enamel surfaces | THE PROCTER & GAMBLE COMPANY (US) | 2000-05-17 | — | — | EP | disclosed |