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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.36 |
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 known ✓ | P35228 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL20534091 | 0.86 | NOS3 (0.41) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| Acetic Acid SCHEMBL8658808 | 0.83 | FFAR3 (0.39) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| Acetic Acid SCHEMBL2593864 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL10928939 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL8414155 | 0.81 | ALDH1A1 (0.68) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL2857433 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL10486951 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL17435831 | 0.80 | TSHR (0.43) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL571656 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Methylamine SCHEMBL9247976 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9463990-B2 | Water treatment agent for removing contaminant through oxidation with highly-active manganese (V) intermediate | HARBIN INSTITUTE OF TECHNOLOGY (CN) | 2016-10-11 | — | — | US | claimed |
| US-20140021401-A1 | Water Treatment Agent for Removing Contaminant Through Oxidation with High-Activity Intermediate-State Pentavalent Manganese | HARBIN INSTITUTE OF TECHNOLOGY (CN) | 2014-01-23 | — | — | US | claimed |
| CN-117794934-A | Crystal forms of pyrrolopyrimidine compounds and preparation method thereof | 浙江龙传生物医药科技有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-117551103-A | Pyrrolo-pyrimidine compound as BTK inhibitor and application thereof | 浙江龙传生物医药科技有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-116490504-A | Pyrrolopyridine compound and application thereof | 浙江龙传生物医药科技有限公司 | 2023-07-25 | — | — | CN | disclosed |
| US-9463990-B2 | Water treatment agent for removing contaminant through oxidation with highly-active manganese (V) intermediate | HARBIN INSTITUTE OF TECHNOLOGY (CN) | 2016-10-11 | — | — | US | disclosed |
| US-20140021401-A1 | Water Treatment Agent for Removing Contaminant Through Oxidation with High-Activity Intermediate-State Pentavalent Manganese | HARBIN INSTITUTE OF TECHNOLOGY (CN) | 2014-01-23 | — | — | US | disclosed |