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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | GGT1 | P19440 | 1/20 | 0.30 |
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 SCHEMBL1033678 | 0.88 | FFAR3 (0.41) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Oxalic Acid SCHEMBL27763558 | 0.88 | CYP1A2 (0.37) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Pivalate SCHEMBL1831112 | 0.86 | CYP2D6 (0.40) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Bicarbonate SCHEMBL1896980 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Bicarbonate SCHEMBL1896976 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Trifluoroacetic Acid SCHEMBL5360185 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Methyl Alcohol SCHEMBL27508368 | 0.81 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL1980 | 0.80 | — | — | |
| Valine SCHEMBL5071256 | 0.78 | SLC7A5 (0.68) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Ammonia Solution, Strong SCHEMBL4950713 | 0.77 | — | — |
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-109053677-A | A kind of preparation method of aromatic ring bithiophene -1,1- dioxide | 济南韶远医药技术有限公司 | 2018-12-21 | — | — | CN | disclosed |