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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KAT2A | Q92830 | 3/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL4464000 | 0.87 | — | — | |
| SCHEMBL18279951 | 0.87 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL3841502 | 0.87 | — | — | |
| SCHEMBL5152467 | 0.87 | — | — | |
| SCHEMBL45142 | 0.87 | — | — | |
| Bicarbonate SCHEMBL29207104 | 0.86 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2TDP1 | |
| Acrylic Acid SCHEMBL28075602 | 0.85 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HCAR2KAT2A | |
| Methacrylic Acid SCHEMBL27979763 | 0.85 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HCAR2KAT2A | |
| SCHEMBL29589991 | 0.84 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL29589147 | 0.84 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TDP1 |
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-1876168-B1 | Method for manufacturing beta amino alpha hydroxy carboxylic acid amides | EVONIK DEGUSSA GMBH (DE) | 2015-03-04 | — | — | EP | disclosed |
| EP-1876168-A1 | Method for manufacturing beta amino alpha hydroxy carboxylic acid amides | Evonik Degussa GmbH (DE) | 2008-01-09 | — | — | EP | disclosed |