Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | LSS | P48449 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5971888 | 0.83 | HRH3 (0.54) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL6095279 | 0.83 | CA12 (0.67) | HRH3LTA4HKEAP1NFE2L2CA12 | |
| SCHEMBL7008138 | 0.83 | HRH3 (0.54) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL3143891 | 0.81 | HRH3 (0.53) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL7368026 | 0.80 | CA12 (0.68) | LTA4HALDH1A1SMN1; SMN2CYP2D6CA12 | |
| SCHEMBL13588801 | 0.80 | HRH3 (0.51) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL38665923 | 0.80 | CA12 (0.52) | HRH3CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL9256011 | 0.79 | HRH3 (0.50) | HRH3LTA4HKEAP1NFE2L2SMN1; SMN2 | |
| SCHEMBL3134320 | 0.77 | CA12 (0.49) | ALDH1A1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL8381610 | 0.77 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2POLBCA12CA1 |
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 | CA12 998/4885CA1 278/4885CA2 138/4885 |
“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.