Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Benzethonium. 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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.98 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.98 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.98 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.98 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.98 |
| ▸ | LMNA | P02545 | 3/20 | 0.98 |
| ▸ | TSHR | P16473 | 3/20 | 0.98 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.98 |
| ▸ | MEN1 | O00255 | 3/20 | 0.98 |
| ▸ | APAF1 | O14727 | 3/20 | 0.98 |
| ▸ | USP2 | O75604 | 3/20 | 0.98 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.98 |
| ▸ | TP53 | P04637 | 3/20 | 0.98 |
| ▸ | MAPT | P10636 | 3/20 | 0.98 |
| ▸ | RAD52 | P43351 | 3/20 | 0.98 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.98 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.98 |
| ▸ | FYN | P06241 | 2/20 | 0.98 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Benzethonium SCHEMBL122985 | 0.99 | SMN1; SMN2 (1.00) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL21713 | 0.98 | SMN1; SMN2 (1.00) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL5549294 | 0.98 | SMN1; SMN2 (0.98) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL1282115 | 0.98 | SMN1; SMN2 (0.98) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL1672928 | 0.98 | SMN1; SMN2 (0.98) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL27797280 | 0.98 | SMN1; SMN2 (1.00) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL927612 | 0.98 | SMN1; SMN2 (0.98) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL1951703 | 0.98 | SMN1; SMN2 (0.98) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL22711570 | 0.98 | SMN1; SMN2 (0.98) | SMN1; SMN2HIF1ALMNATSHRTDP1 | |
| Benzethonium SCHEMBL976363 | 0.97 | SMN1; SMN2 (0.98) | SMN1; SMN2HIF1ALMNATSHRTDP1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090324737-A1 | Antimicrobial And Sporicidal Composition | PHARMULATIONS, L.C. | 2009-12-31 | — | — | US | claimed |
| US-20080095861-A1 | Antimicrobial and sporicidal composition | PHARMULATIONS, L.C. | 2008-04-24 | — | — | US | claimed |
| US-20040058878-A1 | Antimicrobial and sporicidal composition | PHARMULATIONS, L.C. | 2004-03-25 | — | — | US | claimed |
| WO-2003061610-A1 | ANTIMICROBIAL AND SPORICIDAL COMPOSITION | WALKER EDWARD B (US) | 2003-07-31 | — | — | WO | claimed |
| EP-0141628-B1 | ANTIMICROBIAL LATEX COMPOSITION SHAPED ARTICLE PRODUCED THEREFROM, AND METHOD OF MANUFACTURING A SHAPED ARTICLE | UNITIKA LTD. (JP) | 1989-10-18 | — | — | EP | claimed |
| US-4675347-A | Antimicrobial latex composition | UNITIKA LTD. (JP) | 1987-06-23 | — | — | US | claimed |
| EP-0141628-A1 | Antimicrobial latex composition shaped article produced therefrom, and method of manufacturing a shaped article | UNITIKA LTD. (JP) | 1985-05-15 | — | — | EP | claimed |
| US-20090324737-A1 | Antimicrobial And Sporicidal Composition | PHARMULATIONS, L.C. | 2009-12-31 | — | — | US | disclosed |
| US-20080095861-A1 | Antimicrobial and sporicidal composition | PHARMULATIONS, L.C. | 2008-04-24 | — | — | US | disclosed |
| US-20080039351-A1 | Antimicrobial and sporicidal composition | PHARMULATIONS, L.C. | 2008-02-14 | — | — | US | disclosed |
| US-7192601-B2 | Antimicrobial and sporicidal composition | PHARMULATIONS, L.C. | 2007-03-20 | — | — | US | disclosed |
| US-20040058878-A1 | Antimicrobial and sporicidal composition | PHARMULATIONS, L.C. | 2004-03-25 | — | — | US | disclosed |
| WO-2003061610-A1 | ANTIMICROBIAL AND SPORICIDAL COMPOSITION | WALKER EDWARD B (US) | 2003-07-31 | — | — | WO | disclosed |
| EP-0141628-B1 | ANTIMICROBIAL LATEX COMPOSITION SHAPED ARTICLE PRODUCED THEREFROM, AND METHOD OF MANUFACTURING A SHAPED ARTICLE | UNITIKA LTD. (JP) | 1989-10-18 | — | — | EP | disclosed |
| US-4675347-A | Antimicrobial latex composition | UNITIKA LTD. (JP) | 1987-06-23 | — | — | US | disclosed |
| EP-0141628-A1 | Antimicrobial latex composition shaped article produced therefrom, and method of manufacturing a shaped article | UNITIKA LTD. (JP) | 1985-05-15 | — | — | EP | disclosed |