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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | APEX1 | P27695 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL319522 | 0.93 | ACHE (0.52) | ACHEMEN1KMT2AAPEX1LMNA | |
| Carbamic Acid SCHEMBL2521117 | 0.88 | MEN1 (0.43) | ACHEMEN1KMT2AAPEX1LMNA | |
| Acetic Acid SCHEMBL4544173 | 0.85 | ACHE (0.59) | ACHEMEN1KMT2AAPEX1LMNA | |
| SCHEMBL1686179 | 0.84 | — | — | |
| Bicarbonate SCHEMBL8322520 | 0.83 | ACHE (0.46) | ACHEMEN1KMT2AAPEX1LMNA | |
| Acetic Acid SCHEMBL10930844 | 0.83 | CA1 (0.40) | MEN1KMT2ALMNASMN1; SMN2HSD17B10 | |
| Choline SCHEMBL316506 | 0.82 | LMNA (0.63) | ACHEMEN1KMT2ALMNASMN1; SMN2 | |
| Acetic Acid SCHEMBL15820391 | 0.82 | BBOX1 (0.41) | ACHEMEN1KMT2ALMNAGALR3 | |
| SCHEMBL10596463 | 0.82 | MEN1 (0.69) | ACHEMEN1KMT2AAPEX1LMNA | |
| SCHEMBL15055195 | 0.82 | MEN1 (0.69) | ACHEMEN1KMT2AAPEX1LMNA |
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-4320121-A | SYNTHETIC PHOSPHATIDYL QUATERNARY AMMONIUM COMPOUND | LIPID SPECIALTIES, INC., A CORP. OF MA | 1982-03-16 | — | — | US | disclosed |
| US-RE30748-E | SYNTHETIC PHOSPHOLIPID-TYPE COMPOUNDS USEFUL AS EMULSIFIERS SOLUBILIZERS FOOD STABILIZERS AND IN THE REGRESSION OF ATHEROSCLEROSIS | LIPID SPECIALTIES, INC., A CORP. OF MA | 1981-09-22 | — | — | US | disclosed |
| US-4086257-A | Phosphatidyl quaternary ammonium compounds | LIPID SPECIALTIES, INC., A CORP. OF MA | 1978-04-25 | — | — | US | disclosed |