Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.97 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.97 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.97 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.97 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.97 |
| ▸ | 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 |
| ▸ | TP53 | P04637 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Dequalinium SCHEMBL29380717 | 1.00 | MEN1 (1.00) | MEN1GMNNLMNAPOLBMAPT | |
| Dequalinium SCHEMBL29613054 | 1.00 | MEN1 (1.00) | MEN1GMNNLMNAPOLBMAPT | |
| Dequalinium SCHEMBL34043 | 1.00 | MEN1 (1.00) | MEN1GMNNLMNAPOLBMAPT | |
| Dequalinium SCHEMBL3967999 | 0.98 | MEN1 (0.97) | MEN1GMNNLMNAPOLBMAPT | |
| SCHEMBL6299633 | 0.98 | PRKCA (1.00) | MEN1GMNNLMNAPOLBMAPT | |
| SCHEMBL6298118 | 0.98 | PRKCA (1.00) | MEN1GMNNLMNAPOLBMAPT | |
| Dequalinium SCHEMBL29577841 | 0.98 | PRKCA (1.00) | MEN1GMNNLMNAPOLBMAPT | |
| Dequalinium SCHEMBL149457 | 0.98 | PRKCA (1.00) | MEN1GMNNLMNAPOLBMAPT | |
| Dequalinium SCHEMBL29557297 | 0.98 | PRKCA (1.00) | MEN1GMNNLMNAPOLBMAPT | |
| SCHEMBL6305111 | 0.98 | PRKCA (1.00) | MEN1GMNNLMNAPOLBMAPT |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1215763-C | Alcohol based anti-microbial compositions with cosmetic apparatus | ETHICON INC (US) | 2005-08-24 | — | — | CN | claimed |
| EP-2560634-A1 | NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS | Piramal Enterprises Limited (IN) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011132171-A1 | NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2011-10-27 | — | — | WO | disclosed |
| US-20110263526-A1 | Nitric Oxide Releasing Prodrugs of Therapeutic Agents | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2011-10-27 | — | — | US | disclosed |
| CN-1215763-C | Alcohol based anti-microbial compositions with cosmetic apparatus | ETHICON INC (US) | 2005-08-24 | — | — | CN | disclosed |
| EP-0930065-B1 | Alcohol based anti-microbial compositions with cosmetic appearance | ETHICON INC (US) | 2004-09-29 | — | — | EP | disclosed |
| US-5997893-A | ALCOHOL, AN EFFECTIVE AMOUNT OF A CATIONIC ANTIMICROBIAL COMPOUND, AND A CARBOMER | ETHICON, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| CN-1228254-A | Alcohol based anti-microbial compositions with cosmetic apparatus | ETHICON INC (US) | 1999-09-15 | — | — | CN | disclosed |
| EP-0930065-A2 | Alcohol based anti-microbial compositions with cosmetic appearance | ETHICON, INC. (US) | 1999-07-21 | — | — | EP | disclosed |
| EP-0510151-B1 | IMPROVED ANTI-PLAQUE COMPOSITIONS COMPRISING A COMBINATION OF MORPHOLINOAMINO ALCOHOL AND ANTI-MICROBIAL AGENT | PHARMACIA AB (SE) | 1995-04-05 | — | — | EP | disclosed |
| EP-0510151-A1 | IMPROVED ANTI-PLAQUE COMPOSITIONS COMPRISING A COMBINATION OF MORPHOLINOAMINO ALCOHOL AND ANTI-MICROBIAL AGENT. | WARNER LAMBERT CO (US) | 1992-10-28 | — | — | EP | disclosed |
| US-5120325-A | Color-matched sterile adhesive bandages containing melanin-like pigment composition | FLESHTONES PRODUCTS CO., INC. (US) | 1992-06-09 | — | — | US | disclosed |
| WO-1992008442-A1 | IMPROVED ANTI-PLAQUE COMPOSITIONS COMPRISING A COMBINATION OF MORPHOLINOAMINO ALCOHOL AND ANTI-MICROBIAL AGENT | WARNER-LAMBERT COMPANY (US) | 1992-05-29 | — | — | 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 (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-20110263526-A1 | Nitric Oxide Releasing Prodrugs of Therapeutic Agents | NOS2, NOS1, NOS3 | CHRM2 971/4885CHRM1 732/4885ACHE 815/4885 |
“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.