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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
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 SCHEMBL7659518 | 0.95 | MAPT (0.35) | CYP1A2MAPTMEN1KMT2AASH1L | |
| Acetic Acid SCHEMBL7815326 | 0.89 | MAPT (0.41) | CYP1A2MAPTMEN1KMT2AASH1L | |
| Acetic Acid SCHEMBL8366763 | 0.88 | MAPT (0.38) | MAPTMEN1KMT2AASH1LPOLB | |
| Acetic Acid SCHEMBL7817159 | 0.88 | MAPT (0.37) | MAPTASH1LTDP1 | |
| Acetic Acid SCHEMBL7663687 | 0.88 | MAPT (0.41) | MAPTMEN1KMT2AASH1LTDP1 | |
| Acetic Acid SCHEMBL7657005 | 0.88 | MAPT (0.37) | MAPTMEN1KMT2AASH1LTDP1 | |
| Acetic Acid SCHEMBL7661535 | 0.87 | KDM4E (0.38) | CYP1A2MAPTMEN1KMT2ATDP1 | |
| Acetic Acid SCHEMBL7659517 | 0.87 | MAPT (0.36) | MAPTMEN1KMT2AASH1LTDP1 | |
| Acetic Acid SCHEMBL7654544 | 0.87 | MAPT (0.36) | MAPTMEN1KMT2AASH1LTDP1 | |
| Acetic Acid SCHEMBL7664776 | 0.87 | CAMK2D (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6458792-B1 | MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. | ASTRAZENECA AB (SE) | 2002-10-01 | — | — | US | disclosed |
| EP-1071683-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999046264-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |