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 | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CPT2 | P23786 | 1/20 | 0.32 |
| ▸ | CPT1A | P50416 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL27705393 | 0.86 | TSHR (0.39) | BBOX1TSHRFFAR3HDAC1HDAC2 | |
| Adipic Acid SCHEMBL10431144 | 0.84 | BBOX1 (0.57) | BBOX1CA1NFKB1FFAR3HDAC3 | |
| SCHEMBL1834011 | 0.83 | — | — | |
| Water SCHEMBL31683015 | 0.80 | — | — | |
| Fluoride Ion SCHEMBL31683108 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28686705 | 0.80 | KDM4E (0.35) | — | |
| Bromide SCHEMBL31683081 | 0.80 | — | — | |
| Iodide SCHEMBL31683076 | 0.80 | — | — | |
| Benzoic Acid SCHEMBL31683045 | 0.77 | CA2 (0.53) | CA2TSHRNPSR1 | |
| Bicarbonate SCHEMBL2277691 | 0.74 | BBOX1 (0.44) | BBOX1SLC22A16CA1TSHRCPT2 |
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-107868053-B | Preparation method of alkyl sulfate | 深圳新宙邦科技股份有限公司 | 2021-05-14 | — | — | CN | disclosed |