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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 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 SCHEMBL1228923 | 0.96 | ERN1 (0.37) | ERN1GABRA1GABRB1ALDH1A1MAPT | |
| Acetic Acid SCHEMBL1229371 | 0.91 | HMGCR (0.35) | ERN1GABRA1GABRB1ALDH1A1MAPT | |
| Acetic Acid SCHEMBL1228089 | 0.90 | L3MBTL1 (0.42) | ERN1GABRA1GABRB1ALDH1A1MAPT | |
| Acetic Acid SCHEMBL1227614 | 0.85 | ERN1 (0.42) | ERN1ALDH1A1MAPTBCHEACHE | |
| Acetic Acid SCHEMBL1229297 | 0.85 | PTPN1 (0.46) | ERN1ALDH1A1MAPTBCHEACHE | |
| Acetic Acid SCHEMBL1229584 | 0.85 | FNTA (0.39) | GABRA1GABRB1ALDH1A1MAPTCA1 | |
| Acetic Acid SCHEMBL1229351 | 0.84 | GABRA1 (0.38) | ERN1GABRA1GABRB1MAPTCA1 | |
| Acetic Acid SCHEMBL1228366 | 0.84 | GABRA1 (0.38) | GABRA1GABRB1MAPTCA1CA2 | |
| Acetic Acid SCHEMBL1229802 | 0.83 | ERN1 (0.41) | ERN1ALDH1A1MAPTGAABCHE | |
| Acetic Acid SCHEMBL1227786 | 0.82 | KDM4E (0.47) | ERN1GABRA1ALDH1A1MAPTCA1 |
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 |