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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | VHL | P40337 | 1/20 | 0.40 |
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 SCHEMBL6633930 | 1.00 | HCAR2 (0.55) | HCAR2POLBKMT2AMEN1NPC1 | |
| Bicarbonate SCHEMBL6633927 | 0.95 | HCAR2 (0.58) | HCAR2POLBKMT2AMEN1NPC1 | |
| SCHEMBL4034128 | 0.93 | HCAR2 (0.62) | HCAR2POLBKMT2AMEN1NPC1 | |
| SCHEMBL21547321 | 0.77 | HCAR2 (0.60) | HCAR2POLBKMT2AMEN1NPC1 | |
| SCHEMBL7055336 | 0.76 | MAPT (0.43) | HCAR2KMT2AMEN1HTTTP53 | |
| SCHEMBL1800827 | 0.75 | HCAR2 (0.58) | HCAR2POLBKMT2AMEN1NPC1 | |
| SCHEMBL7053837 | 0.74 | MAPT (0.42) | HCAR2KMT2AMEN1HTTTP53 | |
| SCHEMBL444734 | 0.74 | MAPT (0.42) | HCAR2POLBKMT2AMEN1L3MBTL1 | |
| SCHEMBL18896239 | 0.74 | POLB (0.58) | HCAR2POLBKMT2AMEN1NPC1 | |
| SCHEMBL16935060 | 0.73 | MAPT (0.41) | HCAR2RAB9AGLAHTTTP53 |
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-1444210-A1 | QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | AstraZeneca AB (SE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003040108-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2003-05-15 | — | — | WO | disclosed |