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 | |
|---|---|---|---|---|
| ▸ | ARG2 | P78540 | 3/20 | 0.39 |
| ▸ | ARG1 | P05089 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GGT1 | P19440 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.30 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.30 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.30 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.30 |
| ▸ | ODC1 | P11926 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5532861 | 0.88 | FFAR3 (0.39) | ARG2ARG1MEN1KMT2ALMNA | |
| SCHEMBL148930 | 0.87 | MEN1 (0.47) | ARG2ARG1MEN1KMT2ALMNA | |
| Acetone SCHEMBL7760762 | 0.85 | LMNA (0.35) | ARG2ARG1MEN1KMT2ALMNA | |
| Water SCHEMBL1204724 | 0.83 | MEN1 (0.44) | MEN1KMT2ALMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL6660435 | 0.83 | MEN1 (0.44) | MEN1KMT2ALMNAALDH1A1 | |
| Bromide SCHEMBL15820403 | 0.83 | MEN1 (0.44) | MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL8092012 | 0.82 | ARG1 (0.33) | ARG2ARG1MEN1KMT2AGGT1 | |
| SCHEMBL8995134 | 0.80 | ALDH1A1 (0.36) | ARG2ARG1MEN1KMT2ALMNA | |
| Sulfuric Acid SCHEMBL15822423 | 0.79 | CA5A (0.35) | MEN1KMT2ALMNACA1CA2 | |
| Sulfuric Acid SCHEMBL4634968 | 0.79 | CA5A (0.35) | MEN1KMT2ALMNACA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5516928-A | REACTION OF ISOPHORONE AND HYDROGEN CYANIDE USING QUATERNARY AMMONIUM CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1996-05-14 | — | — | US | disclosed |