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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.47 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11134856 | 0.84 | PTGS2 (0.56) | PTGS2FFAR1GRIA4MAPTSMN1; SMN2 | |
| SCHEMBL11489425 | 0.83 | PTGS2 (0.55) | PTGS2FFAR1GRIA4ABCC4LMNA | |
| SCHEMBL21237780 | 0.82 | FFAR1 (0.67) | PTGS2FFAR1GRIA4ABCC4LMNA | |
| SCHEMBL7858991 | 0.82 | FFAR1 (0.67) | PTGS2FFAR1GRIA4ABCC4LMNA | |
| SCHEMBL19381474 | 0.82 | TAAR1 (0.52) | FFAR1TAAR1 | |
| SCHEMBL11241256 | 0.81 | PTGS2 (0.46) | PTGS2FFAR1GRIA4GAA | |
| SCHEMBL21237726 | 0.79 | PTGS2 (0.55) | PTGS2FFAR1GRIA4ADAMTS4 | |
| SCHEMBL21237722 | 0.79 | PTGS2 (0.55) | PTGS2FFAR1GRIA4ADAMTS4 | |
| Acetic Acid SCHEMBL11241266 | 0.78 | PTGER1 (0.41) | MAPTSMN1; SMN2LMNAHTT | |
| Acetic Acid SCHEMBL9809790 | 0.76 | PTGS2 (0.64) | PTGS2FFAR1MAPTSMN1; SMN2GAA |
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 |