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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.40 |
| ▸ | GGT1 | P19440 | 1/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.32 |
| ▸ | CPB1 | P15086 | 1/20 | 0.30 |
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 SCHEMBL10524376 | 0.98 | GABRR1 (0.41) | GABRR1GGT1CPB2PAOXCPB1 | |
| Acetic Acid SCHEMBL29012712 | 0.98 | GABRR1 (0.41) | GABRR1GGT1CPB2PAOXCPB1 | |
| Acetic Acid SCHEMBL8775545 | 0.96 | GABRR1 (0.43) | GABRR1GGT1CPB2PAOXCPB1 | |
| Acetic Acid SCHEMBL5087420 | 0.96 | GABRR1 (0.43) | GABRR1GGT1CPB2PAOXCPB1 | |
| Carbamic Acid SCHEMBL28243838 | 0.87 | GABRR1 (0.43) | GABRR1GGT1CPB2PAOXCPB1 | |
| Acetic Acid SCHEMBL8775556 | 0.85 | GABRR1 (0.35) | GABRR1GGT1CPB2 | |
| SCHEMBL27099 | 0.84 | — | — | |
| Acetic Acid SCHEMBL28385152 | 0.83 | CA1 (0.38) | GABRR1GGT1CPB2PAOX | |
| SCHEMBL28852761 | 0.82 | — | — | |
| Acetic Acid SCHEMBL3841808 | 0.82 | FFAR3 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118202031-A | Diol compositions comprising chelating agents | 陶氏环球技术有限责任公司 | 2024-06-14 | — | — | CN | disclosed |