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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 4/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
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 SCHEMBL6906262 | 0.97 | ALDH1A1 (0.55) | ALDH1A1MEN1LMNABLMHBB | |
| Acetic Acid SCHEMBL10738465 | 0.90 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNABLMHBB | |
| Methyl Alcohol SCHEMBL11236519 | 0.86 | — | — | |
| SCHEMBL195349 | 0.86 | — | — | |
| Bicarbonate SCHEMBL283031 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNABLMHBB | |
| Bicarbonate SCHEMBL283030 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNABLMHBB | |
| Alcohol SCHEMBL11230369 | 0.83 | — | — | |
| Bromide SCHEMBL28182936 | 0.83 | — | — | |
| Fluoride SCHEMBL27456165 | 0.83 | — | — | |
| Heptane SCHEMBL6398285 | 0.76 | ALDH1A1 (0.80) | ALDH1A1TDP1TSHRCES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117120562-A | Composition comprising organofunctional alkoxysilane and coating composition comprising the same | 迈图高新材料公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-107636038-B | Reactive compositions containing mercapto-functional silicon compounds | 莫门蒂夫性能材料股份有限公司 | 2020-09-22 | — | — | CN | disclosed |
| CN-107636038-A | The reactive composition of silicon compound containing Mercaptofunctional | 莫门蒂夫性能材料股份有限公司 | 2018-01-26 | — | — | CN | disclosed |