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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL11791058 | 0.86 | HSD17B10 (0.76) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT | |
| SCHEMBL1919 | 0.83 | — | — | |
| Methyl Alcohol SCHEMBL28044962 | 0.81 | HSD17B10 (0.84) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT | |
| Benzoic Acid SCHEMBL28946052 | 0.81 | CA2 (0.60) | HSD17B10ALDH1A1CA1CA2ALOX15 | |
| SCHEMBL8995751 | 0.81 | HSD17B10 (0.94) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT | |
| SCHEMBL31544783 | 0.81 | HSD17B10 (0.94) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT | |
| Hydrochloric Acid SCHEMBL5255687 | 0.81 | HSD17B10 (0.94) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT | |
| SCHEMBL28981622 | 0.81 | HSD17B10 (0.94) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT | |
| SCHEMBL27737708 | 0.81 | — | — | |
| SCHEMBL28191020 | 0.81 | HSD17B10 (0.94) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT |
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-103755605-B | Preparation method to own sulfenyl benzaldehyde | 中国科学院上海硅酸盐研究所 | 2016-08-17 | — | — | CN | disclosed |