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 | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 7/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 5/20 | 0.34 |
| ▸ | PPARA | Q07869 | 5/20 | 0.34 |
| ▸ | TERT | O14746 | 3/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.33 |
| ▸ | F7 | P08709 | 3/20 | 0.33 |
| ▸ | F3 | P13726 | 3/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | FABP4 | P15090 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4542667 | 0.87 | PPARG (0.31) | PPARGPPARDPPARA | |
| SCHEMBL16556008 | 0.87 | — | — | |
| SCHEMBL17746762 | 0.87 | — | — | |
| SCHEMBL531232 | 0.87 | — | — | |
| SCHEMBL5410991 | 0.87 | PPARG (0.31) | PPARGPPARDPPARA | |
| SCHEMBL811222 | 0.87 | — | — | |
| SCHEMBL15263312 | 0.87 | PPARG (0.31) | PPARGPPARDPPARA | |
| SCHEMBL31487462 | 0.87 | PPARG (0.31) | PPARGPPARDPPARA | |
| SCHEMBL7038528 | 0.87 | — | — | |
| SCHEMBL5410999 | 0.87 | PPARG (0.31) | PPARGPPARDPPARA |
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-20080032913-A1 | Masking of mineral oil odor and fragrancing of mineral oils | SYMRISE GMBH & CO. KG (DE) | 2008-02-07 | — | — | US | disclosed |