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 | 0.50 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.40 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
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 SCHEMBL1229899 | 0.92 | ALOX5 (0.50) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1229790 | 0.91 | ALOX5 (0.42) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1229403 | 0.90 | ALOX5 (0.48) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1229415 | 0.88 | SMN1; SMN2 (0.49) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1230106 | 0.86 | SMN1; SMN2 (0.45) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1228392 | 0.84 | HSPA5 (0.44) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1229795 | 0.84 | ALOX5 (0.53) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1227782 | 0.83 | ALOX5 (0.42) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1228577 | 0.83 | KDM4E (0.46) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1227899 | 0.83 | ALOX5 (0.36) | ALOX5PTGS2MEN1KMT2ASMN1; SMN2 |
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 |