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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10424214 | 0.95 | G6PD (0.47) | ALOX15G6PDCASP7CASP6TSHR | |
| SCHEMBL5490712 | 0.83 | CASP7 (0.50) | ALOX15G6PDCASP7CASP6TSHR | |
| SCHEMBL9659070 | 0.82 | CA2 (0.42) | ALOX15CA2APEX1CA9CA1 | |
| SCHEMBL9659068 | 0.82 | CA2 (0.46) | ALOX15G6PDCASP7CASP6TSHR | |
| SCHEMBL9619019 | 0.81 | CA12 (0.50) | ALOX15G6PDCASP7CASP6TSHR | |
| SCHEMBL10625337 | 0.80 | TSHR (0.45) | ALOX15TSHRSMN1; SMN2CA2APEX1 | |
| SCHEMBL10590325 | 0.79 | SMN1; SMN2 (0.64) | ALOX15TSHRSMN1; SMN2CA2APEX1 | |
| SCHEMBL11223144 | 0.78 | BCAT2 (0.52) | — | |
| SCHEMBL27522317 | 0.76 | CA2 (0.50) | ALOX15CA2APEX1CA12CA9 | |
| SCHEMBL9618785 | 0.76 | TSHR (0.73) | ALOX15G6PDCASP7CASP6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5101069-A | PROCESS FOR THE PREPARATION OF HYDROXYETHYLSULFONYLNITRO- AND HYDROXYETHYLSULFONYLAMINO-BENZOIC ACIDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-03-31 | — | — | US | disclosed |
| US-4960929-A | Chemical intermediate for making fiber reactive azo dyes | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-10-02 | — | — | US | disclosed |