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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 19/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 15/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 13/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.40 |
| ▸ | PDE6C | P51160 | 2/20 | 0.40 |
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 SCHEMBL7001344 | 0.93 | PDE5A (0.43) | PDE5A | |
| SCHEMBL6771429 | 0.92 | PDE5A (0.46) | PDE5AHDAC6HDAC1PDE3AHDAC2 | |
| Bicarbonate SCHEMBL7004189 | 0.91 | P2RX3 (0.37) | PDE5AHDAC6HDAC1PDE3A | |
| Bicarbonate SCHEMBL7006745 | 0.91 | PDE5A (0.37) | PDE5AHDAC6HDAC1PDE3A | |
| SCHEMBL6708902 | 0.91 | PDE5A (0.40) | PDE5AHDAC6HDAC1PDE3AHDAC2 | |
| SCHEMBL6708899 | 0.90 | PDE5A (0.44) | PDE5AHDAC6HDAC1PDE3AHDAC2 | |
| SCHEMBL6706941 | 0.85 | PDE11A (0.46) | PDE5AHDAC6HDAC1 | |
| Bicarbonate SCHEMBL6997209 | 0.84 | CHRM4 (0.40) | PDE5A | |
| SCHEMBL6708793 | 0.84 | PDE11A (0.41) | PDE5A | |
| SCHEMBL6763523 | 0.84 | PDE11A (0.42) | PDE5AHDAC6HDAC1 |
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 |