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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1685177 | 0.92 | SPHK1 (0.40) | PTPN1SPHK1 | |
| SCHEMBL13817351 | 0.85 | SPHK1 (0.48) | GPR84FFAR1PTPN1SPHK1 | |
| SCHEMBL30018032 | 0.85 | SPHK1 (0.48) | GPR84FFAR1PTPN1SPHK1 | |
| SCHEMBL18457223 | 0.83 | SPHK1 (0.52) | GPR84FFAR1PTPN1SPHK1 | |
| SCHEMBL5489394 | 0.83 | SPHK1 (0.52) | GPR84FFAR1PTPN1SPHK1 | |
| SCHEMBL25224640 | 0.83 | SPHK1 (0.45) | PTPN1SPHK1 | |
| Bicarbonate SCHEMBL6442737 | 0.80 | CA2 (0.52) | CA2MAPK1GPR84FFAR1ACE2 | |
| SCHEMBL26104369 | 0.80 | SPHK1 (0.50) | CA2MAPK1GPR84PTPN1SPHK1 | |
| SCHEMBL1990514 | 0.78 | SPHK1 (0.43) | CA2MAPK1GPR84CA1SPHK1 | |
| SCHEMBL2301800 | 0.78 | TSHR (0.42) | PTPN1SPHK1 |
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-110167995-B | Plasticized PVC compounds having surface-modified macromolecules and articles made therefrom | 界面生物公司 | 2022-07-01 | — | — | CN | disclosed |