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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 3/20 | 0.50 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.50 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 3/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | CPB1 | P15086 | 1/20 | 0.31 |
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 SCHEMBL7745945 | 0.96 | GRIK1 (0.50) | GRIK1GRIK2EP300FABP3FFAR3 | |
| SCHEMBL714325 | 0.91 | GRIK1 (0.57) | GRIK1GRIK2EP300FFAR3HDAC3 | |
| SCHEMBL3656820 | 0.91 | GRIK1 (0.57) | GRIK1GRIK2EP300FFAR3HDAC3 | |
| SCHEMBL714326 | 0.91 | GRIK1 (0.57) | GRIK1GRIK2EP300FFAR3HDAC3 | |
| SCHEMBL2775963 | 0.89 | GRIK1 (0.55) | GRIK1GRIK2EP300FFAR3HDAC3 | |
| SCHEMBL11803797 | 0.89 | GRIK1 (0.55) | GRIK1GRIK2EP300FFAR3HDAC3 | |
| SCHEMBL6911144 | 0.89 | GRIK1 (0.55) | GRIK1GRIK2EP300FFAR3HDAC3 | |
| SCHEMBL7901141 | 0.89 | GRIK1 (0.55) | GRIK1GRIK2EP300FFAR3HDAC3 | |
| Bicarbonate SCHEMBL7745939 | 0.87 | GRIK1 (0.53) | GRIK1GRIK2EP300FFAR3CPB1 | |
| Potassium Ion SCHEMBL31628345 | 0.85 | GRIK1 (0.41) | GRIK1GRIK2FABP3FFAR3HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001028981-A1 | 1-CYCLOHEXENE-1-CARBOXYLIC ACID AND 1-CYCLOHEXENE-1-CARBOXYLATES AS NEURAMINIDASE INHIBITORS | ABBOTT LABORATORIES (US) | 2001-04-26 | — | — | WO | disclosed |