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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.63 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.63 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.63 |
| ▸ | PGR | P06401 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.63 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | BHMT | Q93088 | 1/20 | 0.31 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.31 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31161 | 0.96 | CACNA2D1 (0.68) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3115815 | 0.96 | CACNA2D1 (0.68) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3116380 | 0.96 | CACNA2D1 (0.68) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4383786 | 0.96 | CACNA2D1 (0.68) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL119278 | 0.96 | CACNA2D1 (0.68) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4388396 | 0.96 | CACNA2D1 (0.68) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3115808 | 0.96 | CACNA2D1 (0.68) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pd-0299685 SCHEMBL1923704 | 0.81 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pd-0299685 SCHEMBL1923707 | 0.81 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pd-0299685 SCHEMBL119378 | 0.81 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110740993-B | Deuterated pyridonamides and prodrugs thereof useful as sodium channel modulators | 沃泰克斯药物股份有限公司 | 2023-09-01 | — | — | CN | disclosed |