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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL13829487 | 0.82 | CFTR (0.42) | PLA2G7MGLLABHD6SMN1; SMN2CFTR | |
| SCHEMBL17541025 | 0.82 | CFTR (0.42) | PLA2G7MGLLABHD6SMN1; SMN2CFTR | |
| SCHEMBL11240104 | 0.79 | CYP3A4 (0.42) | LMNAMAPK1SMN1; SMN2CFTRSLC6A2 | |
| SCHEMBL7859424 | 0.78 | NPSR1 (0.41) | MAPK1POLBALDH1A1GAA | |
| SCHEMBL23674953 | 0.76 | ALDH1A1 (0.46) | LMNAMAPK1POLBALDH1A1TBXAS1 | |
| SCHEMBL30100763 | 0.76 | ALDH1A1 (0.46) | LMNAMAPK1POLBALDH1A1TBXAS1 | |
| SCHEMBL22374347 | 0.75 | CYP3A4 (0.33) | ALDH1A1 | |
| SCHEMBL369482 | 0.74 | TBXAS1 (0.44) | LMNAPLA2G7MGLLABHD6HTT | |
| SCHEMBL12199164 | 0.74 | SLC6A2 (0.44) | PLA2G7MGLLABHD6SMN1; SMN2CFTR | |
| SCHEMBL12199685 | 0.74 | SLC6A2 (0.44) | PLA2G7MGLLABHD6SMN1; SMN2CFTR |
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-102639135-A | Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use | SCHERING CORP | 2012-08-15 | — | — | CN | disclosed |