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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 5/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.38 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 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 SCHEMBL1768007 | 0.87 | EGLN1 (0.41) | EGLN1TBK1IKBKEHRH4KCNH2 | |
| Bicarbonate SCHEMBL16966269 | 0.86 | EGLN1 (0.40) | EGLN1TBK1IKBKEHRH4KCNH2 | |
| Bicarbonate SCHEMBL16966267 | 0.82 | CYP3A4 (0.43) | ALDH1A1HPGD | |
| Formic Acid SCHEMBL27886082 | 0.81 | EGLN1 (0.38) | EGLN1TBK1IKBKEHRH4KCNH2 | |
| SCHEMBL3088463 | 0.78 | HSP90AA1 (0.53) | HRH4KCNH2HSP90AA1ALDH1A1HPGD | |
| Formic Acid SCHEMBL27869738 | 0.78 | CYP3A4 (0.41) | ALDH1A1HPGD | |
| SCHEMBL3097002 | 0.78 | HSP90AA1 (0.48) | EGLN1TBK1IKBKEHSP90AA1ALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL27886002 | 0.78 | EGLN1 (0.38) | EGLN1TBK1IKBKEHRH4KCNH2 | |
| SCHEMBL3092345 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HPGDLMNADHFR | |
| SCHEMBL3087968 | 0.77 | HSP90AA1 (0.47) | HSP90AA1ALDH1A1HPGDLMNADHFR |
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 |