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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 9/20 | 0.66 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.57 |
| ▸ | HRH1 | P35367 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PTAFR | P25105 | 2/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
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 SCHEMBL9522433 | 0.89 | TBXAS1 (0.81) | TBXAS1CHRNA7HRH1TDP1L3MBTL1 | |
| SCHEMBL13098626 | 0.82 | HRH1 (0.72) | TBXAS1CHRNA7HRH1TDP1L3MBTL1 | |
| SCHEMBL12040598 | 0.82 | HRH1 (0.72) | TBXAS1CHRNA7HRH1TDP1L3MBTL1 | |
| Bicarbonate SCHEMBL9522368 | 0.81 | TDP1 (0.81) | TBXAS1HRH1TDP1L3MBTL1CYP2A6 | |
| Bicarbonate SCHEMBL9520058 | 0.81 | TDP1 (0.81) | TBXAS1HRH1TDP1L3MBTL1CYP2A6 | |
| Bicarbonate SCHEMBL9520418 | 0.81 | TDP1 (0.81) | TBXAS1HRH1TDP1L3MBTL1CYP2A6 | |
| SCHEMBL8199794 | 0.80 | TDP1 (0.71) | TBXAS1CHRNA7HRH1TDP1L3MBTL1 | |
| SCHEMBL9520336 | 0.80 | TBXAS1 (0.53) | TBXAS1CHRNA7HRH1TDP1L3MBTL1 | |
| SCHEMBL8658187 | 0.80 | HRH1 (0.81) | TBXAS1CHRNA7HRH1TDP1L3MBTL1 | |
| SCHEMBL2845851 | 0.80 | HRH1 (0.81) | TBXAS1CHRNA7HRH1TDP1L3MBTL1 |
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-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |