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 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 SCHEMBL6454693 | 0.95 | — | — | |
| Bicarbonate SCHEMBL283948 | 0.84 | CA1 (0.39) | CA1CA2CA9 | |
| Bicarbonate SCHEMBL9418217 | 0.84 | — | — | |
| Bicarbonate SCHEMBL7515371 | 0.84 | CA1 (0.39) | CA1CA2CA9 | |
| Bicarbonate SCHEMBL6249355 | 0.84 | CA1 (0.39) | CA1CA2CA9 | |
| Bicarbonate SCHEMBL11460586 | 0.81 | CA1 (0.36) | CA1CA2CA9 | |
| Carbamic Acid SCHEMBL15321325 | 0.78 | — | — | |
| Benzene SCHEMBL9096439 | 0.75 | TP53 (0.38) | — | |
| SCHEMBL7531585 | 0.74 | — | — | |
| SCHEMBL7531583 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076636-A1 | METHOD FOR PRODUCING SUBSTITUTED BENZENES | BAYER AG (DE) | 2001-02-21 | — | — | EP | claimed |
| WO-1999057084-A1 | METHOD FOR PRODUCING SUBSTITUTED BENZENES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-11-11 | — | — | WO | claimed |
| WO-2023200186-A1 | METHOD FOR PRODUCING CHEMICALLY RECYCLABLE POLY(VINYL ALCOHOL) COPOLYMER THROUGH RING-OPENING METATHESIS POLYMERIZATION OF CYCLOHEXENE DERIVATIVES | 한국과학기술원 | 2023-10-19 | — | — | WO | disclosed |