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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Hydroperoxide SCHEMBL25265357 | 0.89 | ALDH1A1 (0.45) | CYP2C19ALDH1A1 | |
| SCHEMBL29015751 | 0.86 | CYP2C19 (0.35) | CYP2C19TSHRALDH1A1HMGCRCHRM1 | |
| SCHEMBL8029850 | 0.83 | CYP2C19 (0.42) | CYP2C19TSHR | |
| Bicarbonate SCHEMBL28022646 | 0.81 | CYP2C19 (0.39) | CYP2C19TSHRALDH1A1HMGCRCHRM1 | |
| Bicarbonate SCHEMBL10338751 | 0.79 | CYP2C19 (0.38) | CYP2C19TSHRALDH1A1HMGCRCHRM1 | |
| SCHEMBL21602999 | 0.76 | CYP2C19 (0.32) | CYP2C19 | |
| Bicarbonate SCHEMBL26105671 | 0.76 | TSHR (0.41) | CYP2C19TSHRALDH1A1HMGCRCHRM1 | |
| SCHEMBL703050 | 0.75 | GAA (0.36) | CYP2C19TSHRALDH1A1CHRM1TBXA2R | |
| SCHEMBL25191937 | 0.73 | HDAC1 (0.31) | — | |
| SCHEMBL1462566 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116249721-A | Composition comprising at least one organic peroxide, at least one emulsifier, and hydrogen peroxide | 阿科玛法国公司 | 2023-06-09 | — | — | CN | claimed |
| CN-116249721-A | Composition comprising at least one organic peroxide, at least one emulsifier, and hydrogen peroxide | 阿科玛法国公司 | 2023-06-09 | — | — | CN | disclosed |