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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | BRD2 | P25440 | 3/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.35 |
| ▸ | MLNR | O43193 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2134532 | 0.84 | GRM5 (0.34) | BRD4BRD2BRD3ROCK2GRM5 | |
| SCHEMBL2134615 | 0.84 | GRIN2B (0.38) | ROCK2CYP3A4GRM5GRIN2BRXRA | |
| Bicarbonate SCHEMBL16239730 | 0.83 | CCR5 (0.36) | BRD4BRD2BRD3MLNRGRM5 | |
| SCHEMBL2133441 | 0.78 | MAPK1 (0.34) | DRD2 | |
| Bicarbonate SCHEMBL16239450 | 0.73 | F10 (0.33) | BRD4CYP11B1CYP11B2MLNRCYP3A4 | |
| Bicarbonate SCHEMBL16240209 | 0.73 | MLNR (0.36) | CYP11B1CYP11B2MLNRCYP3A4GRM5 | |
| Bicarbonate SCHEMBL16239727 | 0.66 | F10 (0.37) | BRD4BRD2BRD3CCNKCCNA2 | |
| Bicarbonate SCHEMBL16239859 | 0.65 | ATM (0.37) | CYP11B1CYP11B2 | |
| SCHEMBL2136556 | 0.65 | F11 (0.43) | GRM5GRIN2B | |
| SCHEMBL2135981 | 0.65 | F10 (0.43) | CYP3A4GRM5GRIN2B |
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-2630124-B1 | TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | claimed |