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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | RXRB | P28702 | 1/20 | 0.53 |
| ▸ | RXRG | P48443 | 1/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | ACACA | Q13085 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL27623724 | 0.93 | PTGS2 (0.67) | PTGS2MAPTSMN1; SMN2RXRARXRB | |
| Methyl Alcohol SCHEMBL10448872 | 0.89 | PTGS2 (0.59) | PTGS2MAPTRXRARXRBRXRG | |
| SCHEMBL20833031 | 0.89 | PTGS2 (0.58) | PTGS2MAPTRXRARXRBRXRG | |
| SCHEMBL40528 | 0.89 | PTGS2 (0.58) | PTGS2MAPTRXRARXRBRXRG | |
| Isopropylbenzene SCHEMBL8104018 | 0.86 | CYP2D6 (0.50) | RXRARXRBRXRGCYP2C9 | |
| Methane SCHEMBL27572717 | 0.86 | PTGS2 (0.56) | PTGS2MAPTRXRARXRBRXRG | |
| Water SCHEMBL11022921 | 0.86 | PTGS2 (0.56) | PTGS2MAPTRXRARXRBRXRG | |
| Sulfur Dioxide SCHEMBL28639552 | 0.84 | PTGS2 (0.55) | PTGS2MAPTRXRARXRBRXRG | |
| Acetic Acid SCHEMBL1751010 | 0.83 | PTGS2 (0.60) | PTGS2MAPTSMN1; SMN2CYP1A2GAA | |
| Hydrogen Peroxide SCHEMBL9643171 | 0.83 | KIF11 (0.54) | PTGS2MAPTSMN1; SMN2RXRARXRB |
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-4983777-A | Diisopropylbiphenyl mono- and di-hydroperoxides, process for the preparation thereof, and compounds derived therefrom | EASTMAN KODAK COMPANY (US) | 1991-01-08 | — | — | US | disclosed |