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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL581977 | 0.83 | — | — | |
| SCHEMBL3500900 | 0.80 | TP53 (0.36) | TP53SLC7A5CHRM1AKR1A1CHRM3 | |
| Ammonia Solution, Strong SCHEMBL27765535 | 0.79 | TSHR (0.38) | TSHRALDH1A1 | |
| SCHEMBL30063957 | 0.78 | SLC1A3 (0.41) | TP53SLC7A5CHRM1AKR1A1CHRM3 | |
| SCHEMBL2710973 | 0.78 | TP53 (0.35) | TP53SLC7A5CHRM1AKR1A1CHRM3 | |
| SCHEMBL28599334 | 0.76 | SLC22A6 (0.36) | FFAR3ADRA1ATDP1 | |
| SCHEMBL26277800 | 0.76 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2SLC1A1 | |
| Bicarbonate SCHEMBL13372557 | 0.76 | FFAR3 (0.44) | FFAR3TSHRTP53SLC7A5CHRM1 | |
| Bicarbonate SCHEMBL3793442 | 0.76 | FFAR3 (0.44) | FFAR3TSHRTP53SLC7A5CHRM1 | |
| Bicarbonate SCHEMBL47991 | 0.76 | FFAR3 (0.44) | FFAR3TSHRTP53SLC7A5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3713848-A1 | ALUMINUM CONTAINER CONTAINING DICARBONATE | Lanxess Deutschland GmbH (DE) | 2020-09-30 | — | — | EP | disclosed |