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 | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11489428 | 0.84 | BCAT2 (0.44) | PTGER1PTGER4PTGER3PTGER2PPARA | |
| SCHEMBL11487567 | 0.83 | PTGER1 (0.53) | PTGER1PTGER4PTGER3PTGER2PPARA | |
| Acetic Acid SCHEMBL9578985 | 0.78 | CA12 (0.54) | PPARAPPARGKMT2AHSP90AA1HSP90AB1 | |
| Acetic Acid SCHEMBL11241263 | 0.78 | PTGS2 (0.51) | SMN1; SMN2LMNAMAPTHTT | |
| SCHEMBL8164364 | 0.75 | PTGER1 (0.52) | PTGER1PTGER4PTGER3PTGER2PPARA | |
| SCHEMBL28751520 | 0.74 | CA12 (0.42) | PTGER1PTGER4PTGER3PTGER2PPARA | |
| SCHEMBL27459252 | 0.74 | LPAR1 (0.39) | PPARAPPARGKMT2AHSP90AA1HSP90AB1 | |
| SCHEMBL11487075 | 0.73 | TRPA1 (0.46) | PPARAPPARGKMT2ACA12CA1 | |
| SCHEMBL29083932 | 0.73 | BCAT2 (0.40) | PTGER1PTGER4PTGER3PTGER2PPARA | |
| SCHEMBL5551237 | 0.72 | TSHR (0.55) | PPARAPPARGMAPTCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4344966-A | Anti-inflammatory 1-alkyl-1-phenyl-butanes | SANDOZ, INC. (US) | 1982-08-17 | — | — | US | disclosed |
| US-4081476-A | ANTIINFLAMMATORY | SANDOZ, INC. (US) | 1978-03-28 | — | — | US | disclosed |