Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cetrimonium. 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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 7/20 | 0.71 |
| ▸ | APAF1 | O14727 | 1/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.65 |
| ▸ | RAD52 | P43351 | 1/20 | 0.65 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | APEX1 | P27695 | 3/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | LSS | P48449 | 1/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28890624 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Sulfuric Acid SCHEMBL2004002 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Sulfuric Acid SCHEMBL28359157 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Sulfuric Acid SCHEMBL6904675 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Sulfuric Acid SCHEMBL2978706 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Sulfuric Acid SCHEMBL721282 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Sulfuric Acid SCHEMBL11744107 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Sulfuric Acid SCHEMBL9698121 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Cetrimonium SCHEMBL716034 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Sulfuric Acid SCHEMBL28445792 | 1.00 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52BBOX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541012-B2 | Aqueous dispersion comprising pesticide particles and dissolved saccharide | BASF SE (DE) | 2013-09-24 | — | — | US | disclosed |
| US-20110263422-A1 | Aqueous dispersion comprising pesticide particles and an amphiphile | BASF SE (DE) | 2011-10-27 | — | — | US | disclosed |
| US-20110257010-A1 | Aqueous Dispersion Comprising Pesticide Particles and Dissolved Saccharide | BASF SE (DE) | 2011-10-20 | — | — | 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 (2 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-20110263422-A1 | Aqueous dispersion comprising pesticide particles and an amphiphile | DDT, SACM1L, DSTN | DNM1 43/4885APAF1 498/4885HSP90AA1 1928/4885 |
| US-20110257010-A1 | Aqueous Dispersion Comprising Pesticide Particles and Dissolved Saccharide | DDT, DERL1, DSTN | DNM1 1460/4885APAF1 3015/4885HSP90AA1 3751/4885 |
“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.