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 | |
|---|---|---|---|---|
| ▸ | GSK3A known ✓ | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 12/20 | 0.42 |
| ▸ | TCF7L2 | Q9NQB0 | 12/20 | 0.42 |
| ▸ | USP1 | O94782 | 1/20 | 0.39 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
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 SCHEMBL7011719 | 0.91 | PDE5A (0.59) | PDE5AUSP1WDR48PDE10ACHRM3 | |
| SCHEMBL8183681 | 0.90 | PDE10A (0.41) | PDE5ACTNNB1TCF7L2PDE10ACHRM3 | |
| Bicarbonate SCHEMBL7016114 | 0.89 | PDE5A (0.47) | PDE5ACTNNB1TCF7L2GSK3AGSK3B | |
| Bicarbonate SCHEMBL7021903 | 0.89 | PDE5A (0.48) | PDE5ACTNNB1TCF7L2USP1WDR48 | |
| Bicarbonate SCHEMBL7013971 | 0.87 | PDE5A (0.44) | PDE5ACTNNB1TCF7L2USP1WDR48 | |
| Bicarbonate SCHEMBL7018842 | 0.87 | PDE5A (0.47) | PDE5ACTNNB1TCF7L2USP1WDR48 | |
| Bicarbonate SCHEMBL7021236 | 0.85 | PDE5A (0.45) | PDE5ACTNNB1TCF7L2USP1WDR48 | |
| Bicarbonate SCHEMBL7014415 | 0.85 | ACHE (0.45) | PDE5A | |
| Bicarbonate SCHEMBL7014027 | 0.85 | ALDH1A1 (0.49) | PDE5APDE4APDE4BPDE4CPDE4D | |
| Bicarbonate SCHEMBL7016971 | 0.83 | PDE5A (0.45) | PDE5A |
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-0934321-B1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 2003-08-06 | — | — | EP | disclosed |