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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 4/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.38 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 SCHEMBL8829823 | 0.96 | — | — | |
| Bicarbonate SCHEMBL28520684 | 0.89 | — | — | |
| Bicarbonate SCHEMBL2464147 | 0.85 | — | — | |
| Bicarbonate SCHEMBL28807965 | 0.84 | ALDH1A1 (0.60) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL28760009 | 0.84 | ALDH1A1 (0.60) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL20299067 | 0.84 | ALDH1A1 (0.60) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL3833090 | 0.84 | ALDH1A1 (0.60) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL4489032 | 0.84 | — | — | |
| Acetic Acid SCHEMBL28834603 | 0.83 | CA1 (0.60) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Acetic Acid SCHEMBL548946 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110156876-A | A kind of high-purity A40926B0 preparation method of suitable industrialized production | 聊城大学 | 2019-08-23 | — | — | CN | disclosed |