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 | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.40 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21589071 | 0.95 | CACNA2D1 (0.39) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4329152 | 0.95 | CACNA2D1 (0.39) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL27857355 | 0.95 | CACNA2D1 (0.39) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL234997 | 0.86 | MGAM (0.46) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL15969817 | 0.83 | CACNA2D1 (0.53) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3291696 | 0.83 | CACNA2D1 (0.53) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3291702 | 0.83 | CACNA2D1 (0.53) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Ethyl Acetate SCHEMBL28029630 | 0.83 | CACNA2D1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL28011595 | 0.81 | CACNA2D1 (0.39) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL7980052 | 0.80 | CACNA2D1 (0.58) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104803868-B | Method for recovering 3-isobutyl glutaric acid monoamide | 浙江华海药业股份有限公司 | 2020-10-02 | — | — | CN | disclosed |
| CN-104803868-A | Method for recovering 3-carbamoymethyl-5-methylhexanoic acid | ZHEJIANG HUAHAI PHARM CO LTD | 2015-07-29 | — | — | CN | disclosed |