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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 5/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.40 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | PTGFR | P43088 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 SCHEMBL1767926 | 0.87 | EGLN1 (0.41) | EGLN1TBK1IKBKEKCNH2HRH4 | |
| Bicarbonate SCHEMBL16966269 | 0.87 | EGLN1 (0.40) | EGLN1TBK1IKBKEKCNH2HRH4 | |
| Bicarbonate SCHEMBL16966267 | 0.85 | CYP3A4 (0.43) | ALDH1A1HPGD | |
| Formic Acid SCHEMBL27886082 | 0.82 | EGLN1 (0.38) | EGLN1TBK1IKBKEKCNH2HRH4 | |
| Formic Acid SCHEMBL27869738 | 0.81 | CYP3A4 (0.41) | ALDH1A1HPGD | |
| Ethoxycarbonyl Group SCHEMBL27886002 | 0.78 | EGLN1 (0.38) | EGLN1TBK1IKBKEKCNH2HRH4 | |
| Bicarbonate SCHEMBL1767911 | 0.77 | HSP90AA1 (0.67) | EGLN1TBK1IKBKEKCNH2HRH4 | |
| SCHEMBL1768048 | 0.75 | HSP90AA1 (0.69) | EGLN1TBK1IKBKEKCNH2HRH4 | |
| Bicarbonate SCHEMBL1767988 | 0.74 | HSP90AA1 (0.67) | EGLN1TBK1IKBKEKCNH2HRH4 | |
| SCHEMBL1767993 | 0.74 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1ALDH1A1NUDT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2504314-B1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-08-05 | — | — | EP | claimed |
| EP-2504314-B1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-08-05 | — | — | EP | disclosed |
| EP-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |