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 | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 4/20 | 0.54 |
| ▸ | TNFRSF1A | P19438 | 4/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL389830 | 0.88 | LTA4H (0.52) | HDAC2TNFRSF1AGSK3BHDAC1HDAC3 | |
| Acetic Acid SCHEMBL27477993 | 0.82 | KDM4E (0.52) | HDAC2FFAR1HDAC1HDAC3LTA4H | |
| SCHEMBL15259638 | 0.77 | DPP4 (0.49) | HDAC2GSK3BHDAC1LTA4HKDM4E | |
| Acrylic Acid SCHEMBL17792521 | 0.76 | HDAC2 (0.47) | HDAC2FFAR1HDAC1HDAC3LTA4H | |
| SCHEMBL11827219 | 0.75 | HDAC2 (0.72) | HDAC2TNFRSF1AGSK3BFFAR1HDAC1 | |
| SCHEMBL5471588 | 0.75 | HDAC2 (0.72) | HDAC2TNFRSF1AGSK3BFFAR1HDAC1 | |
| SCHEMBL6853994 | 0.74 | HDAC2 (0.49) | HDAC2TNFRSF1AGSK3BHDAC1HDAC3 | |
| SCHEMBL5852 | 0.73 | HDAC2 (0.56) | HDAC2TNFRSF1AGSK3BHDAC1HDAC3 | |
| Acetic Acid SCHEMBL1333508 | 0.73 | MAPT (0.51) | HDAC2HDAC1HDAC3ERN1KDM4E | |
| SCHEMBL8572231 | 0.73 | PRMT6 (0.46) | HDAC2GSK3BLTA4HERN1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0271307-B1 | METHOD FOR PRODUCING ALKENYLTHIOPHENOLS AND THEIR ESTERS | HOECHST CELANESE CORPORATION (US) | 1992-01-02 | — | — | EP | disclosed |
| US-4794205-A | Method for producing alkenylthiophenols and their esters | HOECHST CELANESE CORPORATION (US) | 1988-12-27 | — | — | US | disclosed |
| EP-0271307-A2 | Method for producing alkenylthiophenols and their esters | HOECHST CELANESE CORPORATION (US) | 1988-06-15 | — | — | EP | disclosed |