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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HBB | P68871 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 SCHEMBL25426754 | 0.94 | CA1 (0.64) | CA1CA4FAHD1CA2MAPK1 | |
| Acetic Acid SCHEMBL29238921 | 0.90 | CA1 (0.60) | CA1CA4FAHD1CA2MAPK1 | |
| Acetic Acid SCHEMBL26982602 | 0.90 | CA1 (0.69) | CA1CA4FAHD1CA2MAPK1 | |
| Bicarbonate SCHEMBL3799384 | 0.90 | CA4 (0.50) | CA1CA4FAHD1CA2MEN1 | |
| Bicarbonate SCHEMBL28106037 | 0.87 | MEN1 (0.46) | CA1CA4FAHD1CA2MEN1 | |
| Bicarbonate SCHEMBL11215588 | 0.87 | MEN1 (0.46) | CA1CA4FAHD1CA2MEN1 | |
| Acetic Acid SCHEMBL3714204 | 0.87 | CA1 (0.75) | CA1CA4FAHD1MEN1KMT2A | |
| Acetic Acid SCHEMBL28539343 | 0.84 | CA1 (0.53) | CA1CA4CA2MAPK1MEN1 | |
| Oxalic Acid SCHEMBL29128883 | 0.84 | CA4 (0.44) | CA1CA4FAHD1CA2MEN1 | |
| Acetic Acid SCHEMBL17312004 | 0.83 | CA1 (0.61) | CA1CA4CA2MAPK1MEN1 |
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-1246815-A | Process for purifying substances polluted with organohalogen compounds | EBARA CORP (JP) | 2000-03-08 | — | — | CN | disclosed |