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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 5/20 | 0.40 |
| ▸ | CES1 | P23141 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
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 SCHEMBL7877215 | 1.00 | TSHR (0.55) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL9603312 | 0.98 | TSHR (0.53) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL7530466 | 0.89 | ALDH1A1 (0.52) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Succinic Acid SCHEMBL6061320 | 0.89 | CYP2C19 (0.56) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL9720844 | 0.89 | ALDH1A1 (0.52) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Benzoic Acid SCHEMBL7874586 | 0.87 | CA2 (0.53) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL3786910 | 0.86 | ALDH1A1 (0.49) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL7871075 | 0.86 | ALDH1A1 (0.49) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL10949251 | 0.86 | ALDH1A1 (0.49) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7865520 | 0.86 | HIF1A (0.64) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993004122-A1 | POLYESTER COMPOSITIONS CONTAINING PHOSPHONIUM COMPOUNDS | THE DOW CHEMICAL COMPANY (US) | 1993-03-04 | — | — | WO | disclosed |