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 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 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 SCHEMBL1228527 | 0.95 | ALOX5 (0.36) | ALOX5PTGS2GPR55MEN1KMT2A | |
| Acetic Acid SCHEMBL1227899 | 0.90 | ALOX5 (0.36) | ALOX5PTGS2GPR55MEN1KMT2A | |
| Acetic Acid SCHEMBL1229830 | 0.84 | CA12 (0.34) | ALDH1A1LMNAL3MBTL1CA12CA2 | |
| Acetic Acid SCHEMBL1229403 | 0.84 | ALOX5 (0.48) | ALOX5PTGS2GPR55MEN1KMT2A | |
| Acetic Acid SCHEMBL1229656 | 0.84 | CA12 (0.34) | CA12CA2CA9ERN1 | |
| Acetic Acid SCHEMBL1228280 | 0.84 | SMN1; SMN2 (0.42) | ALOX5PTGS2GPR55MEN1KMT2A | |
| Acetic Acid SCHEMBL1228481 | 0.83 | ALOX5 (0.38) | ALOX5PTGS2MEN1KMT2AALDH1A1 | |
| Acetic Acid SCHEMBL1229410 | 0.83 | CA12 (0.33) | CA12CA2CA9 | |
| Acetic Acid SCHEMBL1227483 | 0.82 | HSPA5 (0.43) | ALOX5PTGS2GPR55MEN1KMT2A | |
| Acetic Acid SCHEMBL1228175 | 0.81 | ALDH1A1 (0.41) | ALOX5PTGS2GPR55MEN1KMT2A |
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 |