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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 SCHEMBL1228308 | 0.98 | ALOX5 (0.33) | L3MBTL1ALOX5PTGS2ALDH1A1MEN1 | |
| Acetic Acid SCHEMBL1229891 | 0.90 | ERN1 (0.38) | L3MBTL1ALOX5PTGS2ALDH1A1NPC1 | |
| Acetic Acid SCHEMBL1229118 | 0.88 | ALOX5 (0.33) | ALOX5PTGS2ALDH1A1NPC1GLA | |
| Acetic Acid SCHEMBL1229608 | 0.88 | ERN1 (0.34) | L3MBTL1ALOX5PTGS2ALDH1A1GAA | |
| Acetic Acid SCHEMBL1229487 | 0.86 | L3MBTL1 (0.39) | L3MBTL1ALDH1A1NPC1GLAGAA | |
| Acetic Acid SCHEMBL1227466 | 0.85 | L3MBTL1 (0.38) | L3MBTL1ALDH1A1NPC1GLAGAA | |
| Acetic Acid SCHEMBL1229211 | 0.85 | ALOX5 (0.46) | L3MBTL1ALOX5PTGS2ALDH1A1NPC1 | |
| Acetic Acid SCHEMBL1229173 | 0.85 | SMN1; SMN2 (0.40) | L3MBTL1ALOX5PTGS2ALDH1A1GAA | |
| Acetic Acid SCHEMBL5365700 | 0.85 | ALOX5 (0.46) | L3MBTL1ALOX5PTGS2ALDH1A1NPC1 | |
| Acetic Acid SCHEMBL5365697 | 0.85 | ALOX5 (0.46) | L3MBTL1ALOX5PTGS2ALDH1A1NPC1 |
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 |