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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 6/20 | 0.43 |
| ▸ | PDE11A | Q9HCR9 | 5/20 | 0.43 |
| ▸ | F2 | P00734 | 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 SCHEMBL7002335 | 0.93 | PDE5A (0.42) | PDE5A | |
| Bicarbonate SCHEMBL7004189 | 0.92 | P2RX3 (0.37) | PDE5APDE11A | |
| SCHEMBL6706941 | 0.92 | PDE11A (0.46) | PDE5APDE11A | |
| Bicarbonate SCHEMBL7006745 | 0.91 | PDE5A (0.37) | PDE5AF2 | |
| SCHEMBL6708793 | 0.90 | PDE11A (0.41) | PDE5APDE11A | |
| SCHEMBL6763523 | 0.90 | PDE11A (0.42) | PDE5APDE11A | |
| SCHEMBL6707017 | 0.90 | PDE11A (0.46) | PDE5APDE11A | |
| SCHEMBL6712236 | 0.89 | PDE11A (0.42) | PDE5APDE11A | |
| SCHEMBL6712239 | 0.88 | PDE11A (0.41) | PDE5APDE11A | |
| Bicarbonate SCHEMBL6997209 | 0.85 | CHRM4 (0.40) | 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-1210349-B1 | PYRAZOLO 4,3-d]PYRIMIDINES | MERCK PATENT GMBH (DE) | 2003-01-29 | — | — | EP | disclosed |