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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 16/20 | 0.80 |
| ▸ | PDE4B | Q07343 | 15/20 | 0.80 |
| ▸ | PDE4D | Q08499 | 15/20 | 0.80 |
| ▸ | PDE4C | Q08493 | 14/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
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 SCHEMBL4715622 | 0.94 | PDE4A (0.80) | PDE4APDE4BPDE4DPDE4CKCNH2 | |
| SCHEMBL4713998 | 0.90 | KCNH2 (0.82) | PDE4APDE4BPDE4DPDE4CKCNH2 | |
| SCHEMBL4714154 | 0.89 | PDE4A (1.00) | PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL4714155 | 0.89 | PDE4A (1.00) | PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL4714591 | 0.89 | PDE4A (1.00) | PDE4APDE4BPDE4DPDE4C | |
| SCHEMBL5336548 | 0.89 | KCNH2 (1.00) | PDE4APDE4BPDE4DPDE4CKCNH2 | |
| Bicarbonate SCHEMBL4717057 | 0.89 | KCNH2 (0.74) | PDE4APDE4BPDE4DPDE4CKCNH2 | |
| Bicarbonate SCHEMBL4719348 | 0.89 | KCNH2 (0.74) | PDE4APDE4BPDE4DPDE4CKCNH2 | |
| Bicarbonate SCHEMBL4714132 | 0.89 | PDE4A (0.81) | PDE4APDE4BPDE4DPDE4CKCNH2 | |
| Bicarbonate SCHEMBL4714325 | 0.89 | KCNH2 (0.74) | PDE4APDE4BPDE4DPDE4CKCNH2 |
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-1565464-B1 | 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-07-23 | — | — | EP | claimed |