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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 17/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2169833 | 0.90 | LTA4H (0.60) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL23111535 | 0.89 | LTA4H (0.65) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL14093027 | 0.89 | LTA4H (0.65) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL2168304 | 0.85 | LTA4H (0.55) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL2168298 | 0.85 | LTA4H (0.55) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL2168778 | 0.85 | LTA4H (0.55) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL2181683 | 0.85 | LTA4H (0.55) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL2168228 | 0.83 | LTA4H (0.58) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL5598248 | 0.83 | LTA4H (0.58) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 | |
| SCHEMBL2178625 | 0.83 | LTA4H (0.58) | LTA4HKCNH2EPHX2CYP1A2CYP3A4 |
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-1660492-B1 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2008-08-20 | — | — | EP | claimed |