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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.48 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MMP14 | P50281 | 2/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL249114 | 0.93 | KMT2A (0.57) | KMT2AENPP3ENPP1ENPP2MMP2 | |
| SCHEMBL27865574 | 0.91 | KMT2A (0.55) | KMT2AENPP3ENPP1ENPP2MMP2 | |
| SCHEMBL27333112 | 0.91 | KMT2A (0.55) | KMT2AENPP3ENPP1ENPP2MMP2 | |
| Sulfuric Acid SCHEMBL2811791 | 0.86 | KMT2A (0.47) | KMT2AENPP3ENPP1ENPP2MMP2 | |
| SCHEMBL3863280 | 0.81 | KMT2A (0.53) | KMT2AMMP2MMP9MMP14MMP7 | |
| SCHEMBL779566 | 0.80 | KMT2A (0.72) | KMT2AMMP2MMP9MMP14CA2 | |
| SCHEMBL28444853 | 0.80 | KMT2A (0.52) | KMT2AMMP2MMP9MMP14MMP7 | |
| SCHEMBL1502053 | 0.80 | KMT2A (0.52) | KMT2AMMP2MMP9MMP14MMP7 | |
| SCHEMBL27608810 | 0.80 | KMT2A (0.52) | KMT2AMMP2MMP9MMP14MMP7 | |
| SCHEMBL5312870 | 0.79 | MAOB (0.49) | KMT2AMEN1ALDH1A1HTTSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2035423-A1 | AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA | AstraZeneca AB (SE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007145568-A9 | AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA | ASTRAZENECA AB (SE) | 2008-12-11 | — | — | WO | disclosed |
| WO-2007145568-A1 | AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA | ASTRAZENECA AB (SE) | 2007-12-21 | — | — | WO | disclosed |