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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.70 |
| ▸ | PTPRC | P08575 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | APEX1 | P27695 | 1/20 | 0.59 |
| ▸ | CASP6 | P55212 | 1/20 | 0.59 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.55 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.55 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.55 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | STAT6 | P42226 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Anthraquinone SCHEMBL27736010 | 0.93 | S100A4 (0.79) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL156735 | 0.93 | S100A4 (0.79) | S100A4PTPRCMAPTPOLBAPEX1 | |
| Water SCHEMBL11135902 | 0.91 | S100A4 (0.77) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL27694074 | 0.91 | S100A4 (0.77) | S100A4PTPRCMAPTPOLBAPEX1 | |
| Ammonia Solution, Strong SCHEMBL27539963 | 0.91 | S100A4 (0.77) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL27694196 | 0.90 | S100A4 (0.74) | S100A4PTPRCMAPTPOLBAPEX1 | |
| Hydrogen Sulfide SCHEMBL28065679 | 0.90 | S100A4 (0.74) | S100A4PTPRCMAPTPOLBAPEX1 | |
| Anthraquinone SCHEMBL27518707 | 0.90 | S100A4 (0.79) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL11317413 | 0.88 | S100A4 (0.78) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL2347136 | 0.88 | S100A4 (0.84) | S100A4PTPRCMAPTPOLBAPEX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0326866-B1 | PROCESS FOR THE PREPARATION OF ARYL AMINE OF THE ANTHRAQUINONE SERIES | BASF Aktiengesellschaft (DE) | 1992-01-02 | — | — | EP | disclosed |
| EP-0326866-A2 | Process for the preparation of aryl amine of the anthraquinone series | BASF Aktiengesellschaft (DE) | 1989-08-09 | — | — | EP | disclosed |