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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL128923 | 0.94 | — | — | |
| SCHEMBL9864154 | 0.77 | ALDH1A1 (0.56) | ALDH1A1LMNASLC15A2TDP1EGLN1 | |
| Acetic Acid SCHEMBL15327800 | 0.76 | ALDH1A1 (0.77) | ALDH1A1LMNASLC15A2FFAR3LCK | |
| SCHEMBL130966 | 0.75 | — | — | |
| SCHEMBL28296026 | 0.75 | ALDH1A1 (0.53) | ALDH1A1LMNASLC15A2TDP1EGLN1 | |
| Acetic Acid SCHEMBL725627 | 0.73 | — | — | |
| Acetic Acid SCHEMBL1653501 | 0.73 | FFAR3 (0.50) | ALDH1A1LMNASLC15A2FFAR3LCK | |
| Acetic Acid SCHEMBL28833682 | 0.73 | — | — | |
| Acetic Acid SCHEMBL9773855 | 0.73 | FFAR3 (0.50) | ALDH1A1LMNASLC15A2FFAR3LCK | |
| SCHEMBL127173 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4367226-A | PRESERVATION OF COSMETICS | FOYE WILLIAM O | 1983-01-04 | — | — | US | disclosed |