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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 SCHEMBL28710458 | 1.00 | TSHR (0.71) | TSHRALDH1A1MAOBMAPK1L3MBTL1 | |
| Acetone SCHEMBL28740549 | 0.95 | TSHR (0.71) | TSHRALDH1A1MAOBMAPK1L3MBTL1 | |
| SCHEMBL28301231 | 0.87 | TSHR (0.83) | TSHRALDH1A1MAPK1L3MBTL1SLC6A2 | |
| Hydrogen Peroxide SCHEMBL28758135 | 0.87 | TSHR (0.94) | TSHRALDH1A1MAPK1L3MBTL1SLC6A2 | |
| Methacrylic Acid SCHEMBL30425451 | 0.87 | TSHR (0.60) | TSHRALDH1A1MAOBMAPK1L3MBTL1 | |
| Propylene Glycol SCHEMBL15618691 | 0.87 | TSHR (0.54) | TSHRALDH1A1MAOBMAPK1L3MBTL1 | |
| SCHEMBL11145254 | 0.86 | TSHR (0.71) | TSHRALDH1A1MAOBSLC6A2SLC6A3 | |
| Urea SCHEMBL28054623 | 0.86 | TSHR (0.71) | TSHRALDH1A1MAPK1L3MBTL1SLC6A2 | |
| Carbamic Acid SCHEMBL119806 | 0.86 | TSHR (0.71) | TSHRALDH1A1MAPK1L3MBTL1SLC6A2 | |
| Acetic Acid SCHEMBL28567289 | 0.86 | ALDH1A1 (0.55) | TSHRALDH1A1MAOBMAPK1L3MBTL1 |
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-116368146-A | Novel ligands for asialoglycoprotein receptors | 赛诺菲 | 2023-06-30 | — | — | CN | disclosed |
| US-20090124737-A1 | ACRYLIC PLASTISOL VISCOSITY REDUCERS | EASTMAN CHEMICAL COMPANY (US) | 2009-05-14 | — | — | US | disclosed |