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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 3/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
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 SCHEMBL10949251 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Acetic Acid SCHEMBL7871075 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Bicarbonate SCHEMBL8438216 | 0.95 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL9720844 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL7530466 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Benzoic Acid SCHEMBL7871040 | 0.89 | CES2 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Benzoic Acid SCHEMBL7874541 | 0.89 | CES2 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL328957 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL8437734 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| SCHEMBL7871283 | 0.88 | HIF1A (0.54) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |
| US-20100291374-A1 | Composites Comprising Nanoparticles | AJJER LLC (US) | 2010-11-18 | — | — | US | disclosed |