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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LHCGR | P22888 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 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 SCHEMBL1229401 | 0.90 | ERN1 (0.40) | HMGCRGABRA1GABRB1CA1CA2 | |
| Acetic Acid SCHEMBL1229371 | 0.88 | HMGCR (0.35) | HMGCRGABRA1GABRB1CA1CA2 | |
| Acetic Acid SCHEMBL1228923 | 0.88 | ERN1 (0.37) | HMGCRGABRA1GABRB1CA1CA2 | |
| Acetic Acid SCHEMBL1229817 | 0.86 | L3MBTL1 (0.45) | L3MBTL1ERN1LHCGRMAPTALDH1A1 | |
| Acetic Acid SCHEMBL1229701 | 0.86 | L3MBTL1 (0.45) | L3MBTL1ERN1LMNAGAALHCGR | |
| Acetic Acid SCHEMBL1229321 | 0.84 | L3MBTL1 (0.43) | L3MBTL1HMGCRERN1GAAHTT | |
| Acetic Acid SCHEMBL1229241 | 0.84 | L3MBTL1 (0.42) | L3MBTL1ERN1ALDH1A1KDM4E | |
| Acetic Acid SCHEMBL1227515 | 0.84 | L3MBTL1 (0.42) | L3MBTL1ERN1MAPTALDH1A1KDM4E | |
| Acetic Acid SCHEMBL1227703 | 0.83 | L3MBTL1 (0.38) | L3MBTL1ERN1LMNAGAAMAPT | |
| Acetic Acid SCHEMBL1228605 | 0.83 | KDM4E (0.44) | L3MBTL1GABRA1ERN1GAAMAPT |
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 |