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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.65 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.65 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.65 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.65 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.65 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | CASP2 | P42575 | 1/20 | 0.68 |
| ▸ | RAD52 | P43351 | 3/20 | 0.66 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.66 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 1/20 | 0.65 |
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 SCHEMBL3717710 | 0.84 | KMT2A (0.88) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Cetylpyridinium SCHEMBL28605868 | 0.84 | KMT2A (0.68) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| SCHEMBL28841017 | 0.83 | CHRM2 (0.69) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| SCHEMBL28002498 | 0.83 | CHRM2 (0.69) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Cetylpyridinium SCHEMBL28164734 | 0.83 | KMT2A (0.72) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Bromide SCHEMBL7319663 | 0.83 | KMT2A (0.59) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Cetylpyridinium SCHEMBL4321270 | 0.82 | ACHE (0.87) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL329979 | 0.82 | KMT2A (1.00) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL5092903 | 0.82 | KMT2A (1.00) | KMT2ASMN1; SMN2MEN1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL313837 | 0.82 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080045589-A1 | Drug Combinations with Substituted Diaryl Ureas for the Treatment of Cancer | BAYER HEALTHCARE LLC | 2008-02-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080045589-A1 | Drug Combinations with Substituted Diaryl Ureas for the Treatment of Cancer | XPOT, XPO6, DDB1 | CHRM2 4533/4885CHRM1 4461/4885ACHE 3253/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.