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 | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.40 |
| ▸ | CAMK2D | Q13557 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | QPCT | Q16769 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7815326 | 0.93 | MAPT (0.41) | NPBWR1MAPTASH1LSMN1; SMN2RAB9A | |
| Acetic Acid SCHEMBL7663687 | 0.92 | MAPT (0.41) | MAPTASH1LCAMK2DMAPK8MAPK9 | |
| Acetic Acid SCHEMBL7815330 | 0.91 | MAPT (0.50) | MAPTASH1LCAMK2DSMN1; SMN2RAB9A | |
| Acetic Acid SCHEMBL7814715 | 0.90 | MAPT (0.44) | NPBWR1MAPTCAMK2DSMN1; SMN2RAB9A | |
| Acetic Acid SCHEMBL8516841 | 0.88 | CAMK2D (0.52) | CAMK2DFLT3GSK3B | |
| Acetic Acid SCHEMBL8366763 | 0.88 | MAPT (0.38) | NPBWR1MAPTASH1LCAMK2DGAA | |
| Acetic Acid SCHEMBL8366775 | 0.87 | KIF11 (0.38) | NPBWR1MAPTASH1LSMN1; SMN2FLT3 | |
| Acetic Acid SCHEMBL7657005 | 0.87 | MAPT (0.37) | MAPTASH1LCAMK2DMEN1KMT2A | |
| Acetic Acid SCHEMBL7817159 | 0.87 | MAPT (0.37) | NPBWR1MAPTASH1LLMNAALDH1A1 | |
| Acetic Acid SCHEMBL8516618 | 0.86 | ASH1L (0.44) | MAPTASH1LCAMK2DGSK3BQPCT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | claimed |
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |