Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cetylpyridinium. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Cetylpyridinium SCHEMBL5455825 | 0.90 | CHRM2 (0.53) | MAPTEGFRKCNH2CHRM2ADRA2A | |
| Cetylpyridinium SCHEMBL5455822 | 0.90 | CHRM2 (0.53) | MAPTEGFRKCNH2CHRM2ADRA2A | |
| Cetylpyridinium SCHEMBL667616 | 0.89 | CHRM2 (0.54) | MAPTCYP2C19EGFRKCNH2CHRM2 | |
| Cetylpyridinium SCHEMBL666198 | 0.85 | CHRM2 (0.50) | MAPTEGFRKCNH2CHRM2ADRA2A | |
| Cetylpyridinium SCHEMBL2369768 | 0.81 | KMT2A (0.43) | MAPTEGFRKCNH2CHRM2ADRA2A | |
| Cetylpyridinium SCHEMBL28035036 | 0.79 | CHRM2 (0.57) | MAPTCYP2C19EGFRKCNH2CHRM2 | |
| Cinnamic Acid SCHEMBL8407375 | 0.79 | MAPT (0.63) | MAPTBCHECYP2C19KCNH2KMT2A | |
| Cinnamic Acid SCHEMBL8407378 | 0.79 | MAPT (0.63) | MAPTBCHECYP2C19KCNH2KMT2A | |
| Cetylpyridinium SCHEMBL666197 | 0.77 | KDM4E (0.49) | MAPTEGFRKCNH2CHRM2ADRA2A | |
| Thiosalicylic Acid SCHEMBL31129192 | 0.76 | CHRM2 (0.53) | MAPTCYP2C19EGFRKCNH2CHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9278134-B2 | Dual functioning ionic liquids and salts thereof | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2016-03-08 | — | — | US | disclosed |
| WO-2011110662-A1 | SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS | DANMARKS TEKNISKE UNIVERSITET (DK) | 2011-09-15 | — | — | WO | disclosed |