Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Cetalkonium. 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 | 1/20 | 0.54 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.54 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.54 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 1.00 |
| ▸ | HTT | P42858 | 5/20 | 0.96 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.96 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.70 |
| ▸ | RAD52 | P43351 | 2/20 | 0.70 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.70 |
| ▸ | MMP2 | P08253 | 1/20 | 0.70 |
| ▸ | MC4R | P32245 | 1/20 | 0.70 |
| ▸ | MLNR | O43193 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3412849 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Miristalkonium Ion SCHEMBL60915 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Benzododecinium SCHEMBL914 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL7638682 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL2825352 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL23690 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL2789719 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Benzalkonium SCHEMBL631295 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Miristalkonium Ion SCHEMBL10681405 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL7638004 | 1.00 | KMT2A (1.00) | KMT2AMEN1MAPK1SMN1; SMN2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0589301-B1 | Carboxynilides derivatives, process for their preparation and fungicidal compositions containing them | BASF AG (DE) | 2002-06-26 | — | — | EP | disclosed |