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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 SCHEMBL1228989 | 0.95 | KDM4E (0.36) | KDM4ECA12CA1CA2CA9 | |
| Acetic Acid SCHEMBL1228299 | 0.93 | KDM4E (0.37) | KDM4EHDAC4HDAC2HDAC8CYP2C9 | |
| Acetic Acid SCHEMBL1228465 | 0.88 | KDM4E (0.49) | KDM4ECA12CA1CA2CA9 | |
| Acetic Acid SCHEMBL1229249 | 0.88 | KDM4E (0.37) | KDM4ECA12HDAC4HDAC2HDAC8 | |
| Acetic Acid SCHEMBL1228879 | 0.88 | KDM4E (0.37) | KDM4ECA12HDAC4HDAC2HDAC8 | |
| Acetic Acid SCHEMBL1228882 | 0.86 | CYP2C9 (0.40) | KDM4ECA12CA1CA2CA9 | |
| Acetic Acid SCHEMBL1229506 | 0.86 | KDM4E (0.39) | KDM4EHDAC4HDAC2HDAC8 | |
| Acetic Acid SCHEMBL1228958 | 0.84 | KDM4E (0.35) | KDM4ECYP2C9 | |
| Acetic Acid SCHEMBL1227606 | 0.84 | ERN1 (0.38) | KDM4E | |
| Acetic Acid SCHEMBL1228945 | 0.84 | MAPT (0.39) | KDM4ECA12CA2CA9HDAC4 |
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 |