Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Eugenyl Acetate. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | AR | P10275 | 1/20 | 0.70 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 1/20 | 0.60 |
| ▸ | PPARA | Q07869 | 3/20 | 0.58 |
| ▸ | PPARG | P37231 | 1/20 | 0.58 |
| ▸ | PPARD | Q03181 | 1/20 | 0.58 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.56 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Eugenyl Acetate SCHEMBL26667569 | 0.97 | PTGS1 (0.87) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| Eugenol SCHEMBL27608718 | 0.91 | ALDH1A1 (0.85) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| Eugenyl Acetate SCHEMBL29802968 | 0.91 | PTGS1 (1.00) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| Eugenol SCHEMBL114133 | 0.91 | ALDH1A1 (0.85) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| Eugenyl Acetate SCHEMBL14764089 | 0.91 | PTGS1 (1.00) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| Eugenyl Acetate SCHEMBL112232 | 0.91 | PTGS1 (1.00) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| Eugenol SCHEMBL29943804 | 0.91 | ALDH1A1 (0.85) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| Eugenol SCHEMBL27710638 | 0.90 | ALDH1A1 (0.82) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| Acetic Acid SCHEMBL2450520 | 0.90 | PTGS1 (0.68) | PTGS1ALDH1A1ALOX5CYP3A4AR | |
| SCHEMBL4254460 | 0.87 | PTGS1 (0.71) | PTGS1ALDH1A1ALOX5CYP3A4AR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7323187-B1 | Impregnation method | SCHUER JOERG PETER | 2008-01-29 | — | — | US | disclosed |