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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | PTAFR | P25105 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
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 SCHEMBL9520966 | 0.92 | PTAFR (0.47) | CA1CA2PTAFRHDAC3HDAC1 | |
| Bicarbonate SCHEMBL9519515 | 0.91 | PTAFR (0.48) | CA1CA2PTAFRHDAC3HDAC1 | |
| Bicarbonate SCHEMBL9519703 | 0.91 | PTAFR (0.48) | CA1CA2PTAFRHDAC3HDAC1 | |
| Bicarbonate SCHEMBL9519706 | 0.89 | PTAFR (0.48) | PTAFRHDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL9521065 | 0.89 | PTAFR (0.48) | PTAFRHDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL9520666 | 0.89 | PTAFR (0.48) | PTAFRHDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL9520018 | 0.88 | CA1 (0.47) | CA1CA2PTAFRHDAC3HDAC4 | |
| SCHEMBL10398815 | 0.86 | PTAFR (0.49) | CA1CA2PTAFRHDAC3HDAC4 | |
| SCHEMBL10398818 | 0.86 | PTAFR (0.49) | CA1CA2PTAFRHDAC3HDAC4 | |
| SCHEMBL9520765 | 0.83 | PDE4B (0.44) | CA1CA2PTAFRHDAC3HDAC4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |