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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MLNR | O43193 | 3/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | 0.86 | F10 (0.33) | CCR5KDM4ELMNAMLNRCYP3A4 | |
| SCHEMBL2137351 | 0.84 | CASR (0.31) | — | |
| Bicarbonate SCHEMBL16240209 | 0.78 | MLNR (0.36) | KDM4ELMNAMLNRCYP3A4 | |
| SCHEMBL2136714 | 0.77 | KMT2A (0.36) | LMNAL3MBTL1KMT2A | |
| Bicarbonate SCHEMBL16239859 | 0.77 | ATM (0.37) | CCR5KMT2A | |
| Bicarbonate SCHEMBL16240210 | 0.76 | LMNA (0.37) | CCR5KDM4ELMNAMLNR | |
| SCHEMBL2134564 | 0.70 | GRIN2B (0.36) | CYP3A4CYP2D6 | |
| SCHEMBL16239494 | 0.69 | BRD4 (0.39) | KDM4ELMNA | |
| SCHEMBL11025003 | 0.69 | TSHR (0.39) | LMNAKMT2A | |
| SCHEMBL16239486 | 0.67 | HPGD (0.43) | LMNAL3MBTL1KMT2A |
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 |