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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
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 SCHEMBL5173420 | 1.00 | MAPT (0.56) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| Acetic Acid SCHEMBL17634001 | 1.00 | MAPT (0.56) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL23365822 | 0.97 | MAPT (0.58) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL17627766 | 0.97 | MAPT (0.58) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL1133020 | 0.97 | MAPT (0.58) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL117759 | 0.97 | MAPT (0.58) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL117760 | 0.97 | MAPT (0.58) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL17336921 | 0.97 | MAPT (0.58) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL20912969 | 0.97 | MAPT (0.58) | MAPTMAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL12980679 | 0.97 | MAPT (0.58) | MAPTMAPK1KMT2AALDH1A1LMNA |
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-1778927-A1 | DISPENSING MEANS FOR A LIQUID | Quest International Services B.V. (NL) | 2007-05-02 | — | — | EP | disclosed |
| WO-2007038524-A2 | COCRYSTALLIZATION METHODS | SSCI, INC. (US) | 2007-04-05 | — | — | WO | disclosed |
| WO-2006010946-A1 | DISPENSING MEANS FOR A LIQUID | QUEST INTERNATIONAL SERVICES B.V. (NL) | 2006-02-02 | — | — | WO | disclosed |