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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.55 |
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 SCHEMBL14796784 | 0.98 | NR1H4 (0.56) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| SCHEMBL197218 | 0.90 | NR1H4 (0.65) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| SCHEMBL197611 | 0.90 | NR1H4 (0.58) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| Bicarbonate SCHEMBL14796763 | 0.89 | NR1H4 (0.53) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| SCHEMBL193619 | 0.87 | PDE6D (0.59) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| SCHEMBL198487 | 0.87 | NR1H4 (0.57) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| SCHEMBL197767 | 0.86 | NR1H4 (0.58) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| SCHEMBL200016 | 0.86 | NR1H4 (0.54) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| SCHEMBL198593 | 0.86 | NR1H4 (0.68) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 | |
| SCHEMBL198640 | 0.86 | NR1H4 (0.57) | NR1H4CYP2C9CYP3A4KCNH2CYP2D6 |
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-2321282-B1 | NEW BENZIMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2013-03-27 | — | — | EP | claimed |