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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 4/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.36 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7837822 | 0.94 | CHEK1 (0.38) | CHEK1IGF1REGLN1SRD5A2MMP13 | |
| Acetic Acid SCHEMBL7658238 | 0.93 | EGLN1 (0.40) | CHEK1IGF1REGFRFLT4KDR | |
| Acetic Acid SCHEMBL7657826 | 0.92 | CHEK1 (0.39) | CHEK1IGF1REGFRFLT4KDR | |
| Acetic Acid SCHEMBL7661589 | 0.91 | IP6K1 (0.42) | CHEK1IGF1REGFRFLT4KDR | |
| Acetic Acid SCHEMBL7817644 | 0.91 | EGLN1 (0.40) | CHEK1IGF1REGFRFLT4KDR | |
| Acetic Acid SCHEMBL7815908 | 0.91 | CAMK2D (0.39) | CHEK1IGF1REGFRFLT4KDR | |
| Acetic Acid SCHEMBL7655888 | 0.90 | EGLN1 (0.38) | CHEK1IGF1REGFRFLT4KDR | |
| SCHEMBL7657901 | 0.90 | CHEK1 (0.37) | CHEK1IGF1REGFRFLT4KDR | |
| Acetic Acid SCHEMBL7814729 | 0.90 | MMP13 (0.42) | MMP13TRPM8PDE4BPDE4D | |
| Acetic Acid SCHEMBL7814532 | 0.90 | TRPM8 (0.39) | CHEK1IGF1REGFRFLT4KDR |
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 |