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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.33 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 SCHEMBL1229112 | 0.94 | KMT2A (0.38) | GAAKMT2AALOX5PTGS2ALOX12 | |
| Acetic Acid SCHEMBL1229245 | 0.94 | GAA (0.40) | GAAKMT2AALOX5PTGS2MEN1 | |
| Acetic Acid SCHEMBL1229109 | 0.89 | GAA (0.39) | GAAKMT2AALOX5PTGS2ALOX12 | |
| Acetic Acid SCHEMBL1229018 | 0.89 | HSPA5 (0.40) | GAAKMT2AALOX5PTGS2ALOX12 | |
| Acetic Acid SCHEMBL1227823 | 0.87 | GAA (0.36) | GAAKMT2AALOX5PTGS2ALOX12 | |
| Acetic Acid SCHEMBL1228310 | 0.87 | GAA (0.41) | GAAKMT2AALOX5PTGS2MEN1 | |
| Acetic Acid SCHEMBL1229598 | 0.87 | GAA (0.35) | GAAKMT2AALOX5PTGS2ALOX12 | |
| Acetic Acid SCHEMBL1228194 | 0.86 | GPR84 (0.37) | KMT2AMEN1POLBMAPTALDH1A1 | |
| Acetic Acid SCHEMBL1229788 | 0.86 | MEN1 (0.39) | KMT2AALOX5PTGS2ALOX12MEN1 | |
| Acetic Acid SCHEMBL1229595 | 0.86 | CA12 (0.38) | GAAKMT2AALOX12MEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-20110040070-A1 | ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |