Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | 4/20 | 0.69 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.69 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.69 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.69 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.69 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.72 |
| ▸ | MAPT | P10636 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
| ▸ | CASP2 | P42575 | 1/20 | 0.72 |
| ▸ | RAD52 | P43351 | 3/20 | 0.70 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.70 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | ESR1 | P03372 | 1/20 | 0.69 |
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 | 0.90 | KMT2A (0.72) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Cetylpyridinium SCHEMBL28528074 | 0.88 | ACHE (0.71) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Cetylpyridinium SCHEMBL3717710 | 0.87 | KMT2A (0.88) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Cetylpyridinium SCHEMBL4321270 | 0.85 | ACHE (0.87) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL6300556 | 0.85 | KMT2A (1.00) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Cetylpyridinium SCHEMBL4763 | 0.85 | KMT2A (1.00) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL1889303 | 0.85 | KMT2A (1.00) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL996021 | 0.85 | KMT2A (1.00) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL5092903 | 0.85 | KMT2A (1.00) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL5084795 | 0.85 | KMT2A (1.00) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109303707-A | A kind of effective mouthwash and preparation method thereof for inhibiting oral peculiar smell | 罗爱莲 | 2019-02-05 | — | — | CN | claimed |
| CN-106511377-A | Composition for treating oral diseases and preparation method of composition | 江彩莲 | 2017-03-22 | — | — | CN | claimed |
| CN-109303707-A | A kind of effective mouthwash and preparation method thereof for inhibiting oral peculiar smell | 罗爱莲 | 2019-02-05 | — | — | CN | disclosed |
| US-5972312-A | COMPRISING CATIONIC BACTERICIDE AND HYDROXYPROPYLMETHYL CELLULOSE PACKED INTO CONTAINER CAPABLE OF EJECTING OR SPRAYING IN A PREDETERMINED AMOUNT; FOR TREATMENT AND PREVENTION OF ORAL DISEASES SUCH AS PERIODONTITIS, TOOTH DECAY | SUNSTAR INC. (JP) | 1999-10-26 | — | — | US | disclosed |