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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.44 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | PTPRG | P23470 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL2810929 | 0.90 | PTGES2 (0.43) | FFAR1HAO1PTGES2ALDH1A1IKBKB | |
| Acetic Acid SCHEMBL4631027 | 0.81 | GRM5 (0.48) | HAO1PTGES2ALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL30092382 | 0.80 | MAP3K14 (0.45) | FFAR1HAO1ALDH1A1IKBKBHCRTR1 | |
| SCHEMBL471131 | 0.80 | MAP3K14 (0.45) | FFAR1HAO1ALDH1A1IKBKBHCRTR1 | |
| SCHEMBL3934628 | 0.77 | HAO1 (0.49) | HAO1PTGES2ALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL4953884 | 0.76 | HRH3 (0.49) | HAO1PTGES2CYP2D6HRH4HRH3 | |
| SCHEMBL11442991 | 0.76 | FFAR1 (0.40) | FFAR1IKBKBHSD17B2PBRM1HCRTR1 | |
| SCHEMBL471129 | 0.75 | FFAR1 (0.42) | FFAR1PTGES2ALDH1A1IKBKBHSD17B2 | |
| SCHEMBL4630945 | 0.75 | GRM5 (0.51) | HAO1PTGES2CYP2D6HRH4HRH3 | |
| SCHEMBL14177740 | 0.74 | MAPT (0.43) | FFAR1IKBKBHCRTR1ADRB2RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | claimed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | claimed |
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |