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 | P22303 | 4/20 | 0.71 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.71 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.71 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.71 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.71 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.71 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.71 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.71 |
| ▸ | ESR1 | P03372 | 1/20 | 0.71 |
| ▸ | PGR | P06401 | 1/20 | 0.71 |
| ▸ | HTR1A | P08908 | 1/20 | 0.71 |
| ▸ | DRD1 | P21728 | 1/20 | 0.71 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.71 |
| ▸ | PDE4A | P27815 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.71 |
| ▸ | DRD3 | P35462 | 1/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.71 |
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 SCHEMBL28896168 | 0.98 | KMT2A (0.72) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL8438964 | 0.88 | KMT2A (0.72) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL4321270 | 0.87 | ACHE (0.87) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL28339410 | 0.87 | ACHE (0.95) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL28002649 | 0.85 | ACHE (0.88) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL3717710 | 0.85 | KMT2A (0.88) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL27488004 | 0.85 | ACHE (0.91) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL28264121 | 0.85 | ACHE (0.91) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL901983 | 0.84 | ACHE (1.00) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Heptane SCHEMBL9741951 | 0.84 | ACHE (1.00) | ACHECHRM2ADRA2AADORA3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112426403-B | Oral ulcer gel and preparation method and application thereof | 南京天纵易康生物科技股份有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-112426403-A | Oral ulcer gel and preparation method and application thereof | 南京天纵易康生物科技股份有限公司 | 2021-03-02 | — | — | CN | disclosed |