Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Dequalinium. 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 | 1/20 | 0.97 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.97 |
| ▸ | PRKCA | P17252 | 13/20 | 1.00 |
| ▸ | MEN1 | O00255 | 4/20 | 1.00 |
| ▸ | GMNN | O75496 | 4/20 | 1.00 |
| ▸ | LMNA | P02545 | 4/20 | 1.00 |
| ▸ | POLB | P06746 | 4/20 | 1.00 |
| ▸ | MAPT | P10636 | 4/20 | 1.00 |
| ▸ | APEX1 | P27695 | 4/20 | 1.00 |
| ▸ | RECQL | P46063 | 4/20 | 1.00 |
| ▸ | BLM | P54132 | 4/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 4/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 4/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | GLA | P06280 | 2/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 1.00 |
| ▸ | TP53 | P04637 | 3/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL29496899 | 1.00 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Iodide SCHEMBL6298119 | 1.00 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| SCHEMBL6305111 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| SCHEMBL6298118 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| SCHEMBL6299633 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL29577841 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL149457 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL29557297 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL2544854 | 0.97 | MEN1 (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL1008339 | 0.97 | PRKCA (0.97) | PRKCAMEN1GMNNLMNAPOLB |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118047720-A | Preparation method of dequalinium chloride | 美享生物科技(海南)有限公司 | 2024-05-17 | — | — | CN | claimed |
| CN-111018777-B | Preparation method of dequalinium chloride | 武汉智顿科技发展有限公司 | 2021-02-12 | — | — | CN | claimed |
| CN-111018777-A | Preparation method of dequalinium chloride | 武汉智顿科技发展有限公司 | 2020-04-17 | — | — | CN | claimed |
| CN-106854179-B | Preparation method of dequalinium chloride and analogs thereof | 华润双鹤药业股份有限公司 | 2019-12-06 | — | — | CN | claimed |
| US-12247246-B2 | Identification of inhibitors of TcpC and TIR NADase activity | WASHINGTON UNIVERSITY (US) | 2025-03-11 | — | — | US | disclosed |
| CN-118047720-A | Preparation method of dequalinium chloride | 美享生物科技(海南)有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-118047720-A | Preparation method of dequalinium chloride | 美享生物科技(海南)有限公司 | 2024-05-17 | — | — | CN | disclosed |
| US-20230272449-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | WASHINGTON UNIVERSITY | 2023-08-31 | — | — | US | disclosed |
| CN-111018777-B | Preparation method of dequalinium chloride | 武汉智顿科技发展有限公司 | 2021-02-12 | — | — | CN | disclosed |
| CN-111018777-B | Preparation method of dequalinium chloride | 武汉智顿科技发展有限公司 | 2021-02-12 | — | — | CN | disclosed |
| US-20200283820-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | WASHINGTON UNIVERSITY | 2020-09-10 | — | — | US | disclosed |
| CN-111018777-A | Preparation method of dequalinium chloride | 武汉智顿科技发展有限公司 | 2020-04-17 | — | — | CN | disclosed |
| US-20140274800-A1 | TRANSCRIPTION FACTOR DECOYS FOR THE TREATMENT AND PREVENTION OF INFECTIONS CAUSED BY BACTERIA INCLUDING CLOSTRIDIUM DIFFICILE | PROCARTA BIOSYSTEMS LTD. (GB) | 2014-09-18 | — | — | US | disclosed |
| US-20130252881-A1 | Transcription Factor Decoys | PROCARTA BIOSYSTEMS LTD. (GB) | 2013-09-26 | — | — | US | disclosed |
| US-20130059775-A1 | Nucleic Acid Complexes | PROCARTA BIOSYSTEMS LTD (GB) | 2013-03-07 | — | — | US | disclosed |
| EP-2533815-A1 | NUCLEIC ACID COMPLEXES | Procarta Biosystems Ltd (GB) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011098829-A1 | NUCLEIC ACID COMPLEXES | PROCARTA BIOSYSTEMS LTD (GB) | 2011-08-18 | — | — | WO | disclosed |
| US-20100291168-A1 | ANTIMICROBIAL FORMULATIONS COMPRISING A COMBINATION OF A PYRIDINE THIOL AND A BIS-QUINOLINIUM SALT | SYNTOPIX GROUP PLC (GB) | 2010-11-18 | — | — | US | disclosed |
| EP-2152264-A1 | ANTIMICROBIAL FORMULATIONS COMPRISING A COMBINATION OF A PYRIDINE THIOL AND A BIS-QUINOLINIUM SALT | Syntopix Group plc (GB) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008149089-A1 | ANTIMICROBIAL FORMULATIONS COMPRISING A COMBINATION OF A PYRIDINE THIOL AND A BIS-QUINOLINIUM SALT | SYNTOPIX LIMITED (GB) | 2008-12-11 | — | — | WO | 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 (5 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-20230272449-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | NADK, NAPRT, TIPARP | CHRM1 4424/4885ACHE 3265/4885PRKCA 2174/4885 |
| US-12247246-B2 | Identification of inhibitors of TcpC and TIR NADase activity | NADK, NAPRT, TIPARP | CHRM1 4424/4885ACHE 3265/4885PRKCA 2174/4885 |
| US-20100291168-A1 | ANTIMICROBIAL FORMULATIONS COMPRISING A COMBINATION OF A PYRIDINE THIOL AND A BIS-QUINOLINIUM SALT | SQOR, TST, QSOX1 | CHRM1 2012/4885ACHE 2366/4885PRKCA 4374/4885 |
| US-20200283820-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | NADK, NAPRT, TIPARP | CHRM1 4424/4885ACHE 3265/4885PRKCA 2174/4885 |
| US-20130059775-A1 | Nucleic Acid Complexes | ZFR, SUB1, RELA | CHRM1 4877/4885ACHE 4834/4885PRKCA 4524/4885 |
“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.