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 | 0.46 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | OR51E2 | Q9H255 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7704585 | 0.97 | — | — | |
| Bicarbonate SCHEMBL25298921 | 0.87 | CACNA2D1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Bicarbonate SCHEMBL943135 | 0.87 | — | — | |
| Acetic Acid SCHEMBL11456389 | 0.85 | GABRR1 (0.42) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Acetic Acid SCHEMBL11456315 | 0.85 | ALDH1A1 (0.59) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Oxalic Acid SCHEMBL20162291 | 0.84 | CACNA2D1 (0.48) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Carbamic Acid SCHEMBL28649188 | 0.84 | — | — | |
| Acetic Acid SCHEMBL8817349 | 0.81 | — | — | |
| Acetic Acid SCHEMBL21227 | 0.81 | ALDH1A1 (0.62) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Acetic Acid SCHEMBL12474237 | 0.81 | ALDH1A1 (0.62) | 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 |
|---|---|---|---|---|---|---|---|
| US-4220729-A | ORGANIC AMINE-METAL COMPLEX SOLUBLE IN ISOCYANATE RAW MATERIAL | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1980-09-02 | — | — | US | disclosed |