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 | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MVD | P53602 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Glycolic Acid SCHEMBL5026942 | 0.86 | PIK3CD (0.45) | PIK3CDKMT2AMEN1MVDALDH1A1 | |
| Propionic Acid SCHEMBL5026808 | 0.86 | FFAR3 (0.46) | PIK3CDKMT2AMEN1MVDALDH1A1 | |
| Acetic Acid SCHEMBL2761971 | 0.85 | CHRM2 (0.48) | PIK3CDALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL18211575 | 0.84 | PIK3CD (0.43) | PIK3CDKMT2AMEN1ALDH1A1CHRM2 | |
| SCHEMBL13186051 | 0.84 | KMT2A (0.48) | PIK3CDKMT2AMEN1MVDALDH1A1 | |
| SCHEMBL26974286 | 0.84 | MEN1 (0.54) | PIK3CDKMT2AMEN1MVDALDH1A1 | |
| SCHEMBL259497 | 0.84 | PIK3CD (0.62) | PIK3CDKMT2AMEN1CHRM2LTA4H | |
| SCHEMBL12465555 | 0.81 | MVD (0.58) | PIK3CDMVDALDH1A1LTA4HMAPK1 | |
| SCHEMBL12735153 | 0.81 | PIK3CD (0.45) | PIK3CDKMT2AMEN1MVDALDH1A1 | |
| Hydrochloric Acid SCHEMBL4659475 | 0.81 | PIK3CD (0.59) | PIK3CDKMT2AMEN1TP53KAT2B |
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-20150259571-A1 | LIGNIN MEMBRANES AND COATINGS | EMPIRE TECHNOLOGY DEVELOPMENT LLC | 2015-09-17 | — | — | US | disclosed |
| WO-2014035498-A1 | LIGNIN MEMBRANES AND COATINGS | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2014-03-06 | — | — | WO | disclosed |
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |