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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2168246 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL2828449 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL7797651 | 0.68 | ALDH1A1 (0.42) | CA2CA1CA9 | |
| Trifluoroacetic Acid SCHEMBL9228519 | 0.68 | CA2 (0.46) | CA2CA1CA9 | |
| Trifluoroacetic Acid SCHEMBL28089165 | 0.67 | CA2 (0.43) | CA2CA1 | |
| Bicarbonate SCHEMBL28340679 | 0.67 | — | — | |
| Trifluoroacetic Acid SCHEMBL28210520 | 0.65 | ALDH1A1 (0.40) | CA2CA1CA9 | |
| Bicarbonate SCHEMBL21051129 | 0.65 | CA2 (0.42) | CA2CA1CA9 | |
| Trifluoroacetic Acid SCHEMBL29280733 | 0.65 | — | — | |
| SCHEMBL1007 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5276187-A | Ketoxime carbonates and process for the synthesis of ketoxime carbonates generally | ALLIEDSIGNAL INC. (US) | 1994-01-04 | — | — | US | disclosed |
| WO-1993004037-A1 | KETOXIME CARBONATES AND PROCESS FOR THEIR SYNTHESIS | ALLIED-SIGNAL INC. (US) | 1993-03-04 | — | — | WO | disclosed |