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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL1050274 | 0.90 | ALDH1A1 (0.36) | ALDH1A1MAPTPTGS1TSHRTP53 | |
| Bicarbonate SCHEMBL1896980 | 0.87 | CYP1A2 (0.39) | ALDH1A1MAPTPTGS1TSHRTP53 | |
| Bicarbonate SCHEMBL1896976 | 0.87 | CYP1A2 (0.39) | ALDH1A1MAPTPTGS1TSHRTP53 | |
| SCHEMBL795854 | 0.86 | — | — | |
| Fluoride SCHEMBL4617083 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5157348 | 0.82 | — | — | |
| Water SCHEMBL2817955 | 0.82 | — | — | |
| Lactic Acid SCHEMBL5570499 | 0.79 | TP53 (0.61) | ALDH1A1MAPTPTGS1TSHRTP53 | |
| Bicarbonate SCHEMBL28325968 | 0.79 | TSHR (0.41) | ALDH1A1MAPTPTGS1TSHRTP53 | |
| Tert-Butylamine SCHEMBL14836204 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPTPTGS1TSHRCA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0269949-A2 | Process for producing a high purity quaternary ammonium hydroxide | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1988-06-08 | — | — | EP | claimed |