Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Methylisoeugenol. 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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | TYR | P14679 | 1/20 | 0.62 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.59 |
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 SCHEMBL9956562 | 0.91 | JUN (0.71) | POLBALDH1A1SMN1; SMN2KDM4EHPGD | |
| Acetic Acid SCHEMBL8473088 | 0.91 | JUN (0.71) | POLBALDH1A1SMN1; SMN2KDM4EHPGD | |
| Methylisoeugenol SCHEMBL1760676 | 0.89 | TYR (0.69) | POLBALDH1A1SMN1; SMN2HPGDTYR | |
| Methylisoeugenol SCHEMBL30203196 | 0.89 | TYR (0.69) | POLBALDH1A1SMN1; SMN2HPGDTYR | |
| Methylisoeugenol SCHEMBL29518298 | 0.89 | TYR (0.69) | POLBALDH1A1SMN1; SMN2HPGDTYR | |
| Methylisoeugenol SCHEMBL112937 | 0.89 | TYR (0.69) | POLBALDH1A1SMN1; SMN2HPGDTYR | |
| Methylisoeugenol SCHEMBL1532669 | 0.89 | TYR (0.69) | POLBALDH1A1SMN1; SMN2HPGDTYR | |
| Methylisoeugenol SCHEMBL29364555 | 0.89 | TYR (0.69) | POLBALDH1A1SMN1; SMN2HPGDTYR | |
| Methylisoeugenol SCHEMBL28544349 | 0.87 | TYR (0.67) | POLBALDH1A1SMN1; SMN2HPGDTYR | |
| Methylisoeugenol SCHEMBL28577260 | 0.87 | TYR (0.67) | POLBALDH1A1SMN1; SMN2HPGDTYR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114674950-B | Method for quantitatively determining anesthetic | 衢州市疾病预防控制中心 | 2024-01-09 | — | — | CN | claimed |
| CN-114674950-B | Method for quantitatively determining anesthetic | 衢州市疾病预防控制中心 | 2024-01-09 | — | — | CN | disclosed |