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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.39 |
| ▸ | CA1 | P00915 | 6/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA7 | P43166 | 6/20 | 0.39 |
| ▸ | CA9 | Q16790 | 6/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | GUSB | P08236 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL458456 | 0.88 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31307331 | 0.88 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL454032 | 0.86 | CA12 (0.38) | CA12CA1CA2CA7CA9 | |
| Bromide SCHEMBL454874 | 0.86 | CA12 (0.38) | CA12CA1CA2CA7CA9 | |
| Sulfuric Acid SCHEMBL457707 | 0.83 | PTGS1 (0.43) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL19438009 | 0.73 | MEN1 (0.47) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL31307333 | 0.72 | ACHE (0.39) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL8640344 | 0.71 | ALOX5 (0.40) | CA12CA1CA2CA7CA9 | |
| Acetic Acid SCHEMBL29025325 | 0.70 | HPGD (0.36) | CA2ALDH1A1GAAPOLB | |
| Hydrochloric Acid SCHEMBL31307327 | 0.69 | GUSB (0.45) | ALOX5PTGS2ALDH1A1MEN1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031796-A2 | AGENTS FOR COLOURING KERATINIC FIBRES WITH CATIONIC DERIVATIVES OF 1-(2,5-DIHYDROXYPHENYL)PYRIDINIUM | HENKEL AG & CO. KGAA (DE) | 2012-03-15 | — | — | WO | disclosed |