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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.81 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.81 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.69 |
| ▸ | TRPV1 | Q8NER1 | 7/20 | 0.61 |
| ▸ | HRH1 | P35367 | 2/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
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 SCHEMBL9522368 | 1.00 | TDP1 (0.81) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| Bicarbonate SCHEMBL9520418 | 1.00 | TDP1 (0.81) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| Bicarbonate SCHEMBL9520572 | 0.98 | TDP1 (0.83) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| SCHEMBL2271578 | 0.94 | TDP1 (0.76) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| Acetic Acid SCHEMBL17273314 | 0.94 | TDP1 (0.81) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| SCHEMBL25382598 | 0.92 | TDP1 (0.96) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| SCHEMBL25380936 | 0.92 | TDP1 (0.96) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| SCHEMBL6115248 | 0.92 | TDP1 (0.96) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| SCHEMBL25381701 | 0.92 | TDP1 (0.96) | TDP1L3MBTL1TBXAS1TRPV1HRH1 | |
| SCHEMBL6114977 | 0.92 | TDP1 (0.96) | TDP1L3MBTL1TBXAS1TRPV1HRH1 |
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 |