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 | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
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 SCHEMBL16239450 | 0.90 | F10 (0.33) | MLNRCYP3A4CYP11B1CYP11B2F10 | |
| SCHEMBL2137036 | 0.85 | F10 (0.32) | F10F11F7SMOGRIN2B | |
| SCHEMBL2133024 | 0.85 | GRIN2B (0.35) | CYP3A4F10F11F7SMO | |
| SCHEMBL2134900 | 0.79 | MAPK1 (0.38) | F10F11F7KDM4ELMNA | |
| Bicarbonate SCHEMBL16239474 | 0.78 | CCR5 (0.33) | MLNRCYP3A4KDM4ELMNA | |
| Bicarbonate SCHEMBL16239859 | 0.78 | ATM (0.37) | CYP11B1CYP11B2F10F11F7 | |
| SCHEMBL2134564 | 0.75 | GRIN2B (0.36) | CYP3A4F10F11F7GRIN2B | |
| Bicarbonate SCHEMBL16239553 | 0.73 | BRD4 (0.35) | MLNRCYP3A4CYP11B1CYP11B2GRIN2B | |
| Bicarbonate SCHEMBL16240210 | 0.72 | LMNA (0.37) | MLNRSMOKDM4ELMNAALDH1A1 | |
| SCHEMBL2136556 | 0.69 | F11 (0.43) | F10F11F7GRIN2BGRM5 |
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 |