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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.40 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 SCHEMBL1229614 | 0.95 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Acetic Acid SCHEMBL1229370 | 0.90 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Acetic Acid SCHEMBL1229173 | 0.89 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Acetic Acid SCHEMBL1229198 | 0.89 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Acetic Acid SCHEMBL1228012 | 0.87 | ALOX5 (0.48) | SMN1; SMN2ALDH1A1ERN1HIF1AALOX5 | |
| Acetic Acid SCHEMBL1227550 | 0.84 | HSPA5 (0.42) | SMN1; SMN2ALDH1A1ERN1HSPA5HIF1A | |
| Acetic Acid SCHEMBL1229891 | 0.84 | ERN1 (0.38) | SMN1; SMN2ALDH1A1ERN1ALOX5PTGS2 | |
| Acetic Acid SCHEMBL1227953 | 0.84 | KDM4E (0.44) | SMN1; SMN2ALDH1A1ERN1HIF1AALOX5 | |
| Acetic Acid SCHEMBL1229114 | 0.84 | ALOX5 (0.41) | SMN1; SMN2ALDH1A1ERN1HIF1AALOX5 | |
| Acetic Acid SCHEMBL1229213 | 0.84 | ERN1 (0.44) | ALDH1A1ERN1MEN1KMT2AKDM4E |
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 |