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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 6/20 | 0.39 |
| ▸ | PPARD | Q03181 | 6/20 | 0.39 |
| ▸ | PPARA | Q07869 | 6/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28146841 | 0.86 | FDPS (0.37) | TSHRALDH1A1TDP1MEN1ESR1 | |
| Bicarbonate SCHEMBL9635222 | 0.84 | AKR1B1 (0.46) | AKR1B1PPARGPPARDPPARAGPR84 | |
| SCHEMBL28084857 | 0.83 | CA2 (0.45) | CA2MAPK1PPARDGPR84FFAR1 | |
| Methyl Alcohol SCHEMBL8586502 | 0.83 | FDPS (0.39) | TSHRALDH1A1TDP1MEN1ESR1 | |
| SCHEMBL56456 | 0.83 | — | — | |
| SCHEMBL7067005 | 0.83 | — | — | |
| Bicarbonate SCHEMBL28388669 | 0.82 | CES2 (0.48) | PPARGPPARDPPARAGPR84HDAC11 | |
| SCHEMBL10531664 | 0.81 | TDP1 (0.35) | AKR1B1CA2MAPK1PPARGPPARD | |
| SCHEMBL11127322 | 0.80 | ALDH1A1 (0.44) | AKR1B1PPARGPPARDPPARAGPR84 | |
| Charcoal, Activated SCHEMBL8892440 | 0.80 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0306300-B1 | Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors | SMITHKLINE BEECHAM CORP (US) | 1995-05-03 | — | — | EP | disclosed |
| EP-0231622-B1 | Inhibition of the 5-lipoxygenase pathway | SMITHKLINE BEECHAM CORP (US) | 1994-08-24 | — | — | EP | disclosed |
| EP-0236628-B1 | INHIBITION OF THE 5-LIPOXYGENASE PATHWAY | SMITHKLINE BEECHAM CORPORATION (US) | 1992-12-02 | — | — | EP | disclosed |
| US-5134150-A | Administering diaryl-substituted imidazothiazoles; antiarthritic agents | SMITHKLINE BEECHAM CORPORATION (US) | 1992-07-28 | — | — | US | disclosed |
| EP-0306300-A2 | Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1989-03-08 | — | — | EP | disclosed |
| US-4719218-A | ENZYME INHIBITORS | SMITHKLINE BECKMAN CORPORATION (US) | 1988-01-12 | — | — | US | disclosed |
| EP-0236628-A1 | Inhibition of the 5-lipoxygenase pathway | SMITHKLINE BEECHAM CORPORATION (US) | 1987-09-16 | — | — | EP | disclosed |
| EP-0231622-A2 | Inhibition of the 5-lipoxygenase pathway | SMITHKLINE BEECHAM CORPORATION (US) | 1987-08-12 | — | — | EP | disclosed |