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 | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.67 |
| ▸ | CYSLTR1 | Q9Y271 | 8/20 | 0.63 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.63 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.63 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.61 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
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 Methyl Ester SCHEMBL9528220 | 0.95 | GPBAR1 (0.64) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 | |
| Acetic Acid SCHEMBL9524043 | 0.88 | GPBAR1 (0.58) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 | |
| Acetic Acid SCHEMBL9525209 | 0.87 | GPBAR1 (0.57) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 | |
| Acetic Acid SCHEMBL9525205 | 0.87 | GPBAR1 (0.57) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 | |
| SCHEMBL7008427 | 0.86 | GPBAR1 (0.64) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 | |
| Acetic Acid SCHEMBL9428160 | 0.84 | GPBAR1 (0.76) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 | |
| SCHEMBL7200778 | 0.83 | CYSLTR1 (0.78) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 | |
| Acetic Acid Methyl Ester SCHEMBL9526190 | 0.82 | GPBAR1 (0.54) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 | |
| SCHEMBL9528368 | 0.82 | CYSLTR1 (0.61) | GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1 | |
| SCHEMBL9026288 | 0.82 | GPBAR1 (0.69) | GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523046-A1 | 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA 2? AND LIPOXYGENASE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-01-20 | — | — | EP | claimed |
| US-5021576-A | Antiinflammatory, antiarthritic, hypotensive, anticarcinogenic agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-06-04 | — | — | US | claimed |
| WO-1991006539-A1 | 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-05-16 | — | — | WO | claimed |
| EP-0523046-A1 | 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA 2? AND LIPOXYGENASE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-01-20 | — | — | EP | disclosed |
| US-5159085-A | Antiinflammatory, antiallergens, cytoprotective agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-10-27 | — | — | US | disclosed |
| US-5021576-A | Antiinflammatory, antiarthritic, hypotensive, anticarcinogenic agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-06-04 | — | — | US | disclosed |
| WO-1991006539-A1 | 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-05-16 | — | — | WO | disclosed |