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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | BID | P55957 | 2/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL15575254 | 0.94 | GPR84 (0.38) | GPR84HCAR2HAO1MEN1KMT2A | |
| Acetic Acid SCHEMBL1660879 | 0.94 | GPR84 (0.38) | GPR84HCAR2HAO1MEN1KMT2A | |
| Acetic Acid SCHEMBL232904 | 0.94 | GPR84 (0.38) | GPR84HCAR2HAO1MEN1KMT2A | |
| Bicarbonate SCHEMBL1490995 | 0.94 | ALDH1A1 (0.34) | GPR84HCAR2ALDH1A1RARBMEN1 | |
| Acetone SCHEMBL3645466 | 0.89 | GPR84 (0.37) | GPR84HCAR2RARBMEN1KMT2A | |
| SCHEMBL2229126 | 0.89 | KCNH2 (0.40) | GPR84ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL1818170 | 0.89 | KCNH2 (0.40) | GPR84ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL4347828 | 0.89 | KCNH2 (0.40) | GPR84ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL5300868 | 0.89 | KCNH2 (0.40) | GPR84ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL3885723 | 0.89 | KCNH2 (0.40) | GPR84ALDH1A1MEN1MAPTKMT2A |
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-1268440-A1 | IMIDAZOLE CARBENES | The Queen's University of Belfast (GB) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001077081-A1 | IMIDAZOLE CARBENES | THE QUEEN'S UNIVERSITY OF BELFAST (GB) | 2001-10-18 | — | — | WO | disclosed |