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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL919091 | 0.93 | — | — | |
| Bicarbonate SCHEMBL7793818 | 0.86 | LMNA (0.32) | ALDH1A1 | |
| SCHEMBL28408897 | 0.84 | — | — | |
| SCHEMBL10523093 | 0.80 | — | — | |
| SCHEMBL20794 | 0.79 | — | — | |
| Bicarbonate SCHEMBL6903775 | 0.76 | CA1 (0.50) | CA1CA2CA9ALDH1A1FFAR3 | |
| SCHEMBL6726547 | 0.76 | — | — | |
| SCHEMBL6726483 | 0.76 | — | — | |
| Propene SCHEMBL7156036 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL919093 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105749971-A | Catalyst for synthesizing bisphenol-dimethoxy-A carbonate diester and preparation methods of catalyst and bisphenol-dimethoxy-A carbonate diester | 天津工业大学 | 2016-07-13 | — | — | CN | disclosed |