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 | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.48 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14910 | 0.89 | TRPA1 (0.54) | GLATDP1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL1399923 | 0.89 | TRPA1 (0.54) | GLATDP1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL14681134 | 0.89 | TRPA1 (0.54) | GLATDP1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL9615483 | 0.89 | GLA (0.48) | GLATDP1ALDH1A1MAPTHDAC3 | |
| Water SCHEMBL27875443 | 0.87 | TRPA1 (0.52) | GLATDP1ALDH1A1MAPTCYP1A2 | |
| Hydrogen Sulfide SCHEMBL27500078 | 0.87 | TRPA1 (0.52) | GLATDP1ALDH1A1MAPTCYP1A2 | |
| Benzophenone SCHEMBL28102567 | 0.86 | ALDH1A1 (0.52) | GLATDP1ALDH1A1MAPTHDAC3 | |
| Benzoic Acid SCHEMBL31552788 | 0.86 | TSHR (0.52) | GLATDP1ALDH1A1MAPTHDAC3 | |
| Trifluoroacetic Acid SCHEMBL27818756 | 0.85 | CYP2C19 (0.46) | GLATDP1ALDH1A1MAPTHDAC3 | |
| SCHEMBL9261421 | 0.85 | TRPA1 (0.61) | ALDH1A1MAPTCYP1A2SMN1; SMN2MAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0694029-B1 | NOVEL METHOD FOR PREPARING BETA-ALKOXY ACRYLIC ACID | ROUSSEL UCLAF (FR) | 1998-07-29 | — | — | EP | disclosed |
| US-5744635-A | REACTING THE CORRESPONDING HALOGEN SUBSTITUTED COMPOUND WITH AN ORGANOMETALLIC COMPOUND | Uclaf, Roussel (FR) | 1998-04-28 | — | — | US | disclosed |
| EP-0694029-A1 | NOVEL METHOD FOR PREPARING BETA-ALKOXY ACRYLIC ACID | ROUSSEL UCLAF (FR) | 1996-01-31 | — | — | EP | disclosed |
| WO-1994024085-A1 | NOVEL METHOD FOR PREPARING β-ALKOXY ACRYLIC ACID | ROUSSEL UCLAF (FR) | 1994-10-27 | — | — | WO | disclosed |