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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 7/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | BMP1 | P13497 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
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 SCHEMBL9520584 | 0.99 | TBXAS1 (0.59) | TBXAS1LMNAHRH1TDP1L3MBTL1 | |
| Bicarbonate SCHEMBL9519855 | 0.93 | TBXAS1 (0.62) | TBXAS1HRH1TDP1L3MBTL1 | |
| SCHEMBL7407607 | 0.87 | CYP2A6 (0.53) | TBXAS1LMNAHRH1TDP1L3MBTL1 | |
| SCHEMBL6569542 | 0.87 | CYP2A6 (0.53) | TBXAS1LMNAHRH1TDP1L3MBTL1 | |
| SCHEMBL7427487 | 0.86 | CYP2A6 (0.54) | TBXAS1LMNAHRH1TDP1L3MBTL1 | |
| Bicarbonate SCHEMBL9522433 | 0.83 | TBXAS1 (0.81) | TBXAS1HRH1TDP1L3MBTL1 | |
| SCHEMBL17064309 | 0.80 | CYP2A6 (0.58) | TBXAS1HRH1TDP1L3MBTL1 | |
| SCHEMBL7392307 | 0.78 | SIGMAR1 (0.64) | SIGMAR1 | |
| SCHEMBL5087578 | 0.78 | SIGMAR1 (0.64) | SIGMAR1 | |
| SCHEMBL11020642 | 0.78 | SIGMAR1 (0.64) | SIGMAR1 |
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 |