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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 SCHEMBL7872955 | 1.00 | CA2 (0.41) | CA2CA4CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL9603209 | 0.98 | CA2 (0.39) | CA2CA4CES2CES1ALDH1A1 | |
| Bicarbonate SCHEMBL8437546 | 0.93 | CA2 (0.42) | CA2CA4CES2CES1ALDH1A1 | |
| Bicarbonate SCHEMBL11217064 | 0.93 | CA2 (0.42) | CA2CA4CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL10794233 | 0.90 | FNTA (0.41) | CA2CA4CES2CA1HSD17B10 | |
| Acetic Acid SCHEMBL7865550 | 0.86 | CA2 (0.41) | CA2CA4CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL7871097 | 0.86 | CA2 (0.41) | CA2CA4CES2CES1ALDH1A1 | |
| SCHEMBL7579915 | 0.85 | KMT2A (0.44) | TSHRGAAHSD17B10MAPT | |
| Succinic Acid SCHEMBL6061689 | 0.85 | HDAC3 (0.46) | CA2CA4CES2CES1ALDH1A1 | |
| Benzoic Acid SCHEMBL7874749 | 0.85 | CA2 (0.64) | CA2CA4CES2CES1ALDH1A1 |
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 | claimed |