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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 3/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.31 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.31 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | FBP1 | P09467 | 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 SCHEMBL1229625 | 0.95 | CA12 (0.34) | CA12CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL1228851 | 0.92 | KDM4E (0.33) | CA12CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL1228218 | 0.88 | CA12 (0.37) | CA12CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL1228473 | 0.87 | GABRA1 (0.37) | CA12CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL1227987 | 0.86 | GABRA1 (0.33) | CA12CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL1228235 | 0.86 | KDM4E (0.35) | CA12CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL1229044 | 0.86 | CA1 (0.39) | CA12CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL1229408 | 0.85 | CA12 (0.38) | CA12CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL1229581 | 0.84 | ERN1 (0.38) | KDM4EERN1ALDH1A1LMNAHPGD | |
| Acetic Acid SCHEMBL1228295 | 0.84 | MAPT (0.39) | CA12CA2CA9KDM4EMCL1 |
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 |