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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.33 |
| ▸ | GLRB | P48167 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 SCHEMBL1228077 | 0.93 | PTGS2 (0.43) | PTGS2ALOX5CA1CA2TNFRSF1A | |
| Acetic Acid SCHEMBL1229385 | 0.91 | ALOX5 (0.42) | PTGS2ALOX5CA1CA2TNFRSF1A | |
| Acetic Acid SCHEMBL1230000 | 0.87 | ALOX5 (0.44) | PTGS2ALOX5CA1CA2TNFRSF1A | |
| Acetic Acid SCHEMBL1227749 | 0.87 | ALOX5 (0.44) | PTGS2ALOX5CA1CA2TNFRSF1A | |
| Acetic Acid SCHEMBL1229720 | 0.84 | PTPN1 (0.44) | MEN1KMT2AERN1PTPN1 | |
| Acetic Acid SCHEMBL1229553 | 0.84 | MAPT (0.35) | CA1CA2MEN1KMT2APTPN1 | |
| Acetic Acid SCHEMBL1229508 | 0.84 | ALOX5 (0.42) | PTGS2ALOX5CA1CA2TNFRSF1A | |
| Acetic Acid SCHEMBL1229268 | 0.84 | ALOX5 (0.42) | PTGS2ALOX5CA1CA2TNFRSF1A | |
| Acetic Acid SCHEMBL1228277 | 0.83 | PTPN1 (0.39) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL1228607 | 0.83 | ALOX5 (0.41) | PTGS2ALOX5CA1CA2TNFRSF1A |
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 |