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 | |
|---|---|---|---|---|
| ▸ | BID | P55957 | 5/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 4/20 | 0.48 |
| ▸ | BAK1 | Q16611 | 4/20 | 0.48 |
| ▸ | IAPP | P10997 | 3/20 | 0.48 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.48 |
| ▸ | PPARA | Q07869 | 2/20 | 0.48 |
| ▸ | SAE1 | Q9UBE0 | 2/20 | 0.48 |
| ▸ | EP300 | Q09472 | 1/20 | 0.48 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.48 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.48 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
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 SCHEMBL9466871 | 0.98 | BID (0.49) | BIDMCL1BCL2L1BAK1IAPP | |
| Acetone SCHEMBL27863904 | 0.93 | IAPP (0.50) | BIDMCL1BCL2L1BAK1IAPP | |
| SCHEMBL21838 | 0.90 | ALOX5 (0.54) | BIDMCL1BCL2L1BAK1IAPP | |
| SCHEMBL29558088 | 0.90 | ALOX5 (0.54) | BIDMCL1BCL2L1BAK1IAPP | |
| Methacrylic Acid SCHEMBL6535115 | 0.89 | BID (0.44) | BIDMCL1BCL2L1BAK1IAPP | |
| SCHEMBL28838335 | 0.88 | ALOX5 (0.53) | BIDMCL1BCL2L1BAK1IAPP | |
| Water SCHEMBL27618995 | 0.88 | ALOX5 (0.53) | BIDMCL1BCL2L1BAK1IAPP | |
| Bicarbonate SCHEMBL11973864 | 0.87 | IAPP (0.48) | BIDMCL1BCL2L1BAK1IAPP | |
| Phenol SCHEMBL4371173 | 0.85 | EGFR (0.48) | BIDMCL1BCL2L1BAK1IAPP | |
| SCHEMBL28838336 | 0.85 | ALOX5 (0.50) | BIDMCL1BCL2L1BAK1IAPP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104450023-A | Rust-proof oil for metal processing molding | HEFEI HUAYANG CONSTRUCTION MACHINERY CO LTD | 2015-03-25 | — | — | CN | claimed |
| CN-104450023-A | Rust-proof oil for metal processing molding | HEFEI HUAYANG CONSTRUCTION MACHINERY CO LTD | 2015-03-25 | — | — | CN | disclosed |