Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1718187 | 0.94 | CHRM2 (0.35) | CHRM2CHRM4CHRM5CYP2D6CHRM1 | |
| Acetic Acid SCHEMBL1716931 | 0.94 | CHRM2 (0.32) | CHRM2CHRM4CHRM5CYP2D6CHRM1 | |
| Trifluoroacetic Acid SCHEMBL907643 | 0.89 | CHRM2 (0.33) | CHRM2CHRM4CHRM5CYP2D6CHRM1 | |
| SCHEMBL1717537 | 0.88 | CHRM2 (0.32) | CHRM2CHRM4CHRM5CYP2D6CHRM1 | |
| SCHEMBL1718893 | 0.87 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL907634 | 0.85 | KDM4E (0.32) | — | |
| Fluoride Ion SCHEMBL907624 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL3314119 | 0.85 | KDM4E (0.37) | CHRM2CHRM4CHRM5CYP2D6CHRM1 | |
| Water SCHEMBL1717648 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL3447164 | 0.84 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8747690-B2 | Quaternary ammonium salt and composition, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2014-06-10 | — | — | US | disclosed |
| US-8366956-B2 | Quaternary ammonium salt and composition, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20130004860-A1 | QUATERNARY AMMONIUM SALT AND COMPOSITION, AND ELECTROCHEMICAL DEVICE | STELLA CHEMIFA CORPORATION (JP) | 2013-01-03 | — | — | US | disclosed |
| EP-1642894-B1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE | OTSUKA CHEMICAL CO LTD (JP) | 2012-01-18 | — | — | EP | disclosed |
| US-20110123873-A1 | Quaternary ammonium salt and composition, and electrochemical device | STELLA CHEMIFA CORPORATION (JP) | 2011-05-26 | — | — | US | disclosed |
| US-7834197-B2 | Quaternary ammonium salt, electrolyte, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| EP-2172463-A1 | Quaternary ammonium salt, electrolytic solution and electrochemical device | Otsuka Chemical Co., Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| US-20070042271-A1 | Quaternary ammonium salt, electrolyte, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2007-02-22 | — | — | US | disclosed |
| EP-1642894-A1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE | OTSUKA CHEMICAL COMPANY, LIMITED (JP) | 2006-04-05 | — | — | 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 (3 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-20110123873-A1 | Quaternary ammonium salt and composition, and electrochemical device | DNMT3A, AFF4, AFF2 | CHRM2 428/4885CHRM4 232/4885CHRM5 672/4885 |
| US-20070042271-A1 | Quaternary ammonium salt, electrolyte, and electrochemical device | DNMT3A, NHERF1, SLC9A1 | CHRM2 815/4885CHRM4 777/4885CHRM5 926/4885 |
| US-20130004860-A1 | QUATERNARY AMMONIUM SALT AND COMPOSITION, AND ELECTROCHEMICAL DEVICE | DNMT3A, AFF4, AFF2 | CHRM2 428/4885CHRM4 232/4885CHRM5 672/4885 |
“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.