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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Cyclooctene SCHEMBL29059019 | 1.00 | CA1 (0.36) | CA1CA2CA9 | |
| Cyclohexene SCHEMBL2128923 | 0.96 | CA1 (0.39) | CA1CA2CA9 | |
| Cyclohexene SCHEMBL166014 | 0.96 | CA1 (0.39) | CA1CA2CA9 | |
| Cyclohexene SCHEMBL11493765 | 0.93 | CA1 (0.36) | CA1CA2CA9 | |
| Cyclohexene SCHEMBL11267115 | 0.93 | CA1 (0.36) | CA1CA2CA9 | |
| Cyclohexene SCHEMBL28582823 | 0.90 | CA1 (0.33) | CA1CA2CA9 | |
| Cyclopentene SCHEMBL4818209 | 0.89 | — | — | |
| Hydrogen Peroxide SCHEMBL28692176 | 0.89 | — | — | |
| Cyclooctene SCHEMBL21616471 | 0.87 | — | — | |
| Cyclooctene SCHEMBL29572550 | 0.87 | ACHE (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1589031-B1 | Production of polyketides and other natural products | BIOTICA TECH LTD (GB) | 2007-08-15 | — | — | EP | claimed |
| EP-2044035-A1 | PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT | Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007144200-A1 | PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 2007-12-21 | — | — | WO | disclosed |
| EP-0080658-B1 | PROCESS FOR PRODUCING CYCLIC 1,2-CIS DIOLS FROM CYCLIC 1,2-EPOXIDES | BAYER AG (DE) | 1987-09-30 | — | — | EP | disclosed |
| EP-0080658-A1 | Process for producing cyclic 1,2-cis diols from cyclic 1,2-epoxides | BAYER AG (DE) | 1983-06-08 | — | — | EP | disclosed |