Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL7949062 | 0.79 | MAPT (0.53) | POLBALDH1A1MAPTKDM4EKMT2A | |
| Anisole SCHEMBL7949799 | 0.78 | ALDH1A1 (0.52) | POLBALDH1A1MAPTKDM4EKMT2A | |
| Acetic Acid SCHEMBL7949781 | 0.78 | POLB (0.81) | POLBALDH1A1MAPTKMT2AGAA | |
| Nitrobenzene SCHEMBL7949085 | 0.76 | MAPT (0.49) | POLBALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL26261032 | 0.74 | ALDH1A1 (0.87) | POLBALDH1A1MAPTKDM4EKMT2A | |
| Fluorobenzene SCHEMBL7941812 | 0.73 | MAPT (0.58) | POLBALDH1A1MAPTKDM4EKMT2A | |
| SCHEMBL7949793 | 0.73 | ALDH1A1 (0.81) | POLBALDH1A1MAPTKMT2AGAA | |
| SCHEMBL26261045 | 0.71 | ALDH1A1 (0.57) | POLBALDH1A1MAPTKDM4EKMT2A | |
| Acetic Acid SCHEMBL28710458 | 0.67 | TSHR (0.71) | ALDH1A1MAOBKMT2ALMNA | |
| Acetic Acid SCHEMBL4466285 | 0.67 | TSHR (0.71) | ALDH1A1MAOBKMT2ALMNA |
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-6255517-B1 | 6-SULFONYLOXYISOPROPENYL-M-CRESOL AND ESTERS | Zee, Ok Pyo (KR) | 2001-07-03 | — | — | US | disclosed |