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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL622450 | 0.92 | USP2 (0.43) | GPR84FFAR1FFAR4KDM4EDUSP3 | |
| SCHEMBL1122053 | 0.90 | USP2 (0.46) | GPR84FFAR1FFAR4KDM4EDUSP3 | |
| Acetic Acid SCHEMBL9720467 | 0.88 | TSHR (0.34) | GPR84FFAR1FFAR4KDM4EDUSP3 | |
| SCHEMBL620028 | 0.88 | USP2 (0.41) | GPR84FFAR1FFAR4KDM4EDUSP3 | |
| Succinic Acid SCHEMBL2785641 | 0.88 | FFAR4 (0.51) | GPR84FFAR1FFAR4KDM4EDUSP3 | |
| Adipic Acid SCHEMBL2782511 | 0.87 | FFAR4 (0.58) | GPR84FFAR1FFAR4MEN1KMT2A | |
| Succinic Acid SCHEMBL2780255 | 0.87 | FFAR4 (0.50) | GPR84FFAR1FFAR4KDM4EDUSP3 | |
| SCHEMBL28427082 | 0.87 | USP2 (0.43) | GPR84FFAR1FFAR4KDM4EDUSP3 | |
| SCHEMBL28891991 | 0.87 | USP2 (0.43) | GPR84FFAR1FFAR4KDM4EDUSP3 | |
| SCHEMBL9995078 | 0.87 | USP2 (0.40) | GPR84FFAR1FFAR4KDM4EDUSP3 |
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-5160666-A | For alkaline plastic dispersions, paints, emulsions, adhesives benzisothiazolin-3-one and a alkyl(polyaminoalkyl) glycine compound | RIEDEL-DE HAEN AG (DE) | 1992-11-03 | — | — | US | disclosed |