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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1959443 | 0.91 | TSHR (0.41) | TSHRTDP1LMNAKDM4EDUSP3 | |
| Acetic Acid SCHEMBL9720486 | 0.88 | GPR84 (0.46) | LMNAKDM4EDUSP3MEN1KMT2A | |
| SCHEMBL31286549 | 0.87 | TDP1 (0.41) | TSHRTDP1LMNAUSP2 | |
| Succinic Acid SCHEMBL2782794 | 0.85 | FFAR4 (0.36) | TDP1LMNAHDAC1HDAC2KDM4E | |
| Acetic Acid SCHEMBL28017937 | 0.85 | TDP1 (0.32) | TDP1LMNAKDM4EDUSP3MEN1 | |
| SCHEMBL9995061 | 0.85 | TSHR (0.37) | TSHRTDP1LMNAUSP2 | |
| Adipic Acid SCHEMBL2780883 | 0.83 | FFAR4 (0.44) | TSHRTDP1LMNAKDM4EDUSP3 | |
| Succinic Acid SCHEMBL2785641 | 0.83 | FFAR4 (0.51) | LMNAKDM4EDUSP3MEN1KMT2A | |
| Adipic Acid SCHEMBL2782511 | 0.82 | FFAR4 (0.58) | TSHRTDP1MEN1KMT2AGPR84 | |
| SCHEMBL6437783 | 0.79 | USP2 (0.40) | TSHRTDP1LMNAKDM4EDUSP3 |
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 |