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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.48 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ADH5 | P11766 | 2/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27979160 | 0.88 | AKR1C3 (0.47) | HSD17B1AKR1C3AKR1C2ESR2ESR1 | |
| Bicarbonate SCHEMBL6362560 | 0.88 | AKR1C3 (0.47) | HSD17B1AKR1C3AKR1C2ESR2ESR1 | |
| SCHEMBL5334234 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL28451021 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL4602569 | 0.82 | — | — | |
| Bromide SCHEMBL28927015 | 0.82 | — | — | |
| Formic Acid SCHEMBL28050270 | 0.81 | ESR2 (0.48) | HSD17B1AKR1C3AKR1C2ESR2ESR1 | |
| Boric Acid SCHEMBL28033106 | 0.80 | ESR2 (0.52) | HSD17B1AKR1C3AKR1C2ESR2ESR1 | |
| SCHEMBL2350935 | 0.80 | ESR2 (0.52) | HSD17B1AKR1C3AKR1C2ESR2ESR1 | |
| SCHEMBL31628308 | 0.79 | ADH5 (0.56) | HSD17B1RARBADH5SLC2A1RXRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0116444-A2 | Improvements in or relating to benzazepine derivatives | ELI LILLY AND COMPANY (US) | 1984-08-22 | — | — | EP | disclosed |