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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 5/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | PLAT | P00750 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 SCHEMBL9900974 | 0.98 | ACE (0.46) | ACEJAK2JAK1TYK2JAK3 | |
| SCHEMBL21987659 | 0.85 | PLG (0.50) | ACEJAK2JAK1TYK2JAK3 | |
| Acetic Acid SCHEMBL9900147 | 0.84 | ACE (0.37) | ACEJAK2JAK1TYK2JAK3 | |
| Acetonitrile SCHEMBL5397687 | 0.83 | ACE (0.36) | ACEJAK2JAK1TYK2JAK3 | |
| Acetic Acid Methyl Ester SCHEMBL2477680 | 0.83 | ALDH1A1 (0.42) | ACEJAK2JAK1TYK2JAK3 | |
| SCHEMBL5641934 | 0.82 | EPHX1 (0.43) | ACE | |
| Ammonia Solution, Strong SCHEMBL7435862 | 0.82 | ACE (0.39) | ACEJAK2JAK1TYK2JAK3 | |
| SCHEMBL766758 | 0.78 | PIK3CD (0.37) | ACEJAK2JAK1TYK2JAK3 | |
| SCHEMBL6274517 | 0.78 | ALOX15 (0.42) | ACEJAK2JAK1TYK2JAK3 | |
| SCHEMBL17942452 | 0.78 | ACE (0.43) | ACEJAK2JAK1TYK2JAK3 |
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-2012077133-A1 | PROCESSES FOR PREPARATION OF MONTELUKAST SODIUM AND PURIFICATION OF DIOL INTERMEDIATE | IND-SWIFT LABORATORIES LIMITED (IN) | 2012-06-14 | — | — | WO | disclosed |