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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PPID | Q08752 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HRAS | P01112 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2178103 | 0.87 | CYP3A4 (0.48) | SMN1; SMN2PPIDEPHX2MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL27547964 | 0.85 | MAPT (0.52) | SMN1; SMN2PPIDEPHX2MAPTL3MBTL1 | |
| Water SCHEMBL27527749 | 0.85 | CYP3A4 (0.52) | SMN1; SMN2PPIDEPHX2MAPTMEN1 | |
| Sulfuric Acid SCHEMBL27885484 | 0.84 | CA2 (0.46) | SMN1; SMN2PPIDEPHX2MAPTCYP2C19 | |
| Sulfuric Acid SCHEMBL27885483 | 0.84 | CA2 (0.46) | SMN1; SMN2PPIDEPHX2MAPTCYP2C19 | |
| Dimethylamine SCHEMBL28814481 | 0.83 | CYP3A4 (0.50) | SMN1; SMN2PPIDEPHX2MAPTMEN1 | |
| Chloromethane SCHEMBL27446335 | 0.83 | CYP3A4 (0.45) | SMN1; SMN2PPIDEPHX2RIPK1MAPT | |
| SCHEMBL29102028 | 0.80 | HTT (0.43) | SMN1; SMN2PPIDEPHX2MAPTCYP2C19 | |
| SCHEMBL28339272 | 0.79 | KCNH2 (0.43) | SMN1; SMN2PPIDMAPTL3MBTL1CYP2C19 | |
| Benzaldehyde SCHEMBL7800457 | 0.78 | ALDH1A1 (0.47) | SMN1; SMN2PPIDEPHX2MAPTMEN1 |
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-110483436-A | A method of preparing 4- benzyl -2- hydroxy-morpholine -3- ketone | XIAN CATALYST NEW MAT CO LTD | 2019-11-22 | — | — | CN | disclosed |