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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
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 SCHEMBL1228431 | 0.94 | ALOX5 (0.40) | HSP90AA1ALOX5NFKB1NFKB2RELA | |
| Acetic Acid SCHEMBL1229177 | 0.93 | HSP90AA1 (0.36) | HSP90AA1ALOX5NFKB1NFKB2RELA | |
| Acetic Acid SCHEMBL1227650 | 0.91 | MAPT (0.37) | HSP90AA1ALOX5NFKB1NFKB2RELA | |
| Acetic Acid SCHEMBL1228917 | 0.88 | EGFR (0.36) | HSP90AA1EGFRALDH1A1MAPTMEN1 | |
| Acetic Acid SCHEMBL1227618 | 0.88 | HSP90AA1 (0.37) | HSP90AA1EGFRALDH1A1MAPTMEN1 | |
| Acetic Acid SCHEMBL1229846 | 0.88 | ALOX5 (0.38) | HSP90AA1ALOX5NFKB1NFKB2RELA | |
| Acetic Acid SCHEMBL1229566 | 0.87 | KDM4E (0.34) | HSP90AA1ALOX5NFKB1NFKB2RELA | |
| Acetic Acid SCHEMBL1228949 | 0.87 | ALOX5 (0.36) | ALOX5NFKB1NFKB2RELAKDM4E | |
| Acetic Acid SCHEMBL1229130 | 0.87 | ALOX5 (0.36) | ALOX5NFKB1NFKB2RELAKDM4E | |
| Acetic Acid SCHEMBL1227754 | 0.87 | CA1 (0.38) | HSP90AA1EGFRALDH1A1MAPTMEN1 |
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 |