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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 6/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3578727 | 1.00 | FFAR3 (0.39) | FFAR3LCKFYNCYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL29175008 | 1.00 | FFAR3 (0.39) | FFAR3LCKFYNCYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL11467288 | 0.97 | CYP2C9 (0.37) | FFAR3LCKFYNCYP2C9CYP2C19 | |
| Bicarbonate SCHEMBL30077198 | 0.92 | CYP2C9 (0.40) | CYP2C9CYP2C19MAPTCHRM2CHRM4 | |
| Carbamic Acid SCHEMBL5488417 | 0.89 | ACHE (0.39) | CYP2C9CYP2C19MAPTCHRM2CHRM4 | |
| Oxalic Acid SCHEMBL5863149 | 0.89 | CYP2C9 (0.39) | CYP2C9CYP2C19MAPTCHRM2CHRM4 | |
| Urea SCHEMBL4966379 | 0.86 | CYP2C9 (0.40) | CYP2C9CYP2C19MAPTCHRM2CHRM4 | |
| Methacrylic Acid SCHEMBL17453355 | 0.85 | TDP1 (0.36) | CYP2C9CYP2C19MAPTCHRM2CHRM4 | |
| Acetic Acid SCHEMBL3260807 | 0.84 | TDP1 (0.48) | CYP2C9CYP2C19CHRM2TDP1PAOX | |
| Acetic Acid SCHEMBL11467289 | 0.84 | CA1 (0.40) | CYP2C9CYP2C19MAPTCHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0945496-B1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | XEROX CORP (US) | 2003-11-12 | — | — | EP | claimed |