Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | STS | P08842 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3147869 | 0.90 | GAA (0.55) | KMT2AGAAL3MBTL1TDP1CA2 | |
| SCHEMBL3139692 | 0.87 | TDP1 (0.61) | L3MBTL1TDP1CA2CA9STS | |
| Potassium Ion SCHEMBL1823369 | 0.80 | KMT2A (0.62) | KMT2AGAACA2CA9STS | |
| SCHEMBL28452876 | 0.80 | KMT2A (0.62) | KMT2AGAACA2CA9STS | |
| SCHEMBL3134320 | 0.80 | CA12 (0.49) | L3MBTL1CA2CA9 | |
| SCHEMBL9182298 | 0.79 | CHRNB4 (0.48) | KMT2AKCNH2HRH3 | |
| SCHEMBL9726273 | 0.78 | STS (0.56) | KMT2AGAACA2CA9STS | |
| SCHEMBL2352535 | 0.78 | ADRA2A (0.43) | KMT2AGAAL3MBTL1ACHEMAPT | |
| SCHEMBL13873578 | 0.77 | GAA (0.54) | KMT2AGAAL3MBTL1TDP1CA2 | |
| SCHEMBL6701399 | 0.77 | TDP1 (0.74) | KMT2AL3MBTL1TDP1CA2CA9 |
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-7687546-B2 | Quaternary ammonium compound, process for producing the same, therapeutic agent for cerebrovascular disorder, and therapeutic agent for heart disease | ACTIVUS PHARMA CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-20080269345-A1 | Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2008-10-30 | — | — | US | disclosed |
| EP-1736464-A1 | QUATERNARY AMMONIUM COMPOUND, PROCESS FOR PRODUCING THE SAME, THERAPEUTIC AGENT FOR CEREBROVASCULAR DISORDER, AND THERAPEUTIC AGENT FOR HEART DISEASE | Dainippon Ink and Chemicals, Incorporated (JP) | 2006-12-27 | — | — | EP | 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-20080269345-A1 | Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease | HRH4, KCNH3, ARGLU1 | KMT2A 2020/4885GAA 990/4885L3MBTL1 2018/4885 |
“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.