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 | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 5/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | GALR3 | O60755 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6864388 | 0.91 | THRB (0.59) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL29229747 | 0.91 | THRB (0.59) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL14886 | 0.91 | — | — | |
| Methacrylic Acid SCHEMBL28472155 | 0.90 | THRB (0.50) | THRBTSHRALDH1A1POLBAPEX1 | |
| Oxalic Acid SCHEMBL5675199 | 0.90 | THRB (0.50) | THRBTSHRALDH1A1POLBAPEX1 | |
| Ethylene SCHEMBL629900 | 0.89 | THRB (0.57) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL19747268 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL7702083 | 0.89 | THRB (0.57) | THRBTSHRALDH1A1POLBAPEX1 | |
| Ethylene SCHEMBL1248384 | 0.89 | THRB (0.57) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL20701421 | 0.89 | THRB (0.57) | THRBTSHRALDH1A1POLBAPEX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0918749-A1 | UREA/UREIDO FUNCTIONAL POLYMERIZABLE MONOMERS | Cytec Technology Corp. (US) | 1999-06-02 | — | — | EP | disclosed |
| WO-1997049676-A1 | UREA/UREIDO FUNCTIONAL POLYMERIZABLE MONOMERS | CYTEC TECHNOLOGY CORP. (US) | 1997-12-31 | — | — | WO | disclosed |