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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
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 SCHEMBL1228382 | 0.92 | ALOX5 (0.52) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| Acetic Acid SCHEMBL1229462 | 0.91 | PTGS2 (0.45) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| Acetic Acid SCHEMBL1229222 | 0.90 | ALOX5 (0.57) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| Acetic Acid SCHEMBL1228073 | 0.88 | MEN1 (0.49) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| Acetic Acid SCHEMBL1227955 | 0.86 | CA2 (0.45) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL29132413 | 0.86 | ALOX5 (0.51) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| Acetic Acid SCHEMBL1229346 | 0.85 | ALOX5 (0.53) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL114843 | 0.85 | ALOX5 (0.60) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL6364302 | 0.85 | ALOX5 (0.60) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 | |
| Acetic Acid SCHEMBL1230010 | 0.84 | HIF1A (0.45) | ALOX5PTGS2SMN1; SMN2KDM4EMEN1 |
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 |