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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.39 |
| ▸ | ITGAV | P06756 | 3/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | PTGIR | P43119 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 6/20 | 0.35 |
| ▸ | MAOB | P27338 | 6/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787543 | 0.96 | ADRA2A (0.39) | ITGB3ITGAVITGA2BADRA2AGPR65 | |
| SCHEMBL4915068 | 0.88 | ITGB3 (0.37) | ITGB3ITGAVITGA2BADRA2AGPR65 | |
| SCHEMBL4787772 | 0.86 | POLB (0.41) | ITGB3ITGAVITGA2BADRA2AGPR65 | |
| SCHEMBL4788381 | 0.85 | FAAH (0.39) | ITGB3ITGAVITGA2BADRA2AMAOA | |
| Acetic Acid SCHEMBL4787766 | 0.84 | OPRM1 (0.41) | MAOAMAOBNISCHKDM4EHTT | |
| Acetic Acid SCHEMBL4750266 | 0.83 | PTGIR (0.42) | ITGB3ITGAVITGA2BPTGIRMAOA | |
| Formic Acid SCHEMBL4748418 | 0.83 | FAAH (0.38) | ITGB3ITGAVITGA2BPPARGPPARA | |
| SCHEMBL4787684 | 0.82 | GAA (0.40) | ADRA2AGPR65PTGIRMAOAMAOB | |
| Acetic Acid SCHEMBL4787678 | 0.80 | MAOA (0.42) | ITGB3ITGAVITGA2BMAOAMAOB | |
| SCHEMBL949042 | 0.79 | KDM4E (0.52) | ADRA2APTGIRMAOAMAOBNISCH |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008123821-A1 | 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-10-16 | — | — | WO | disclosed |