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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.39 |
| ▸ | EP300 | Q09472 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CCNK | O75909 | 2/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL945086 | 0.88 | — | — | |
| SCHEMBL30020445 | 0.76 | ACACB (0.45) | ACACBHAO1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL30134426 | 0.74 | GSK3B (0.36) | — | |
| SCHEMBL26822915 | 0.73 | CYP11B1 (0.36) | CYP11B1CYP11B2 | |
| SCHEMBL1569997 | 0.73 | — | — | |
| SCHEMBL31131777 | 0.72 | ACACB (0.48) | ACACBHAO1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL17276290 | 0.71 | MKNK1 (0.41) | — | |
| SCHEMBL16584129 | 0.70 | GABRD (0.35) | — | |
| Bicarbonate SCHEMBL29410648 | 0.69 | SMN1; SMN2 (0.41) | ALDH1A1HTTSMN1; SMN2L3MBTL1 | |
| SCHEMBL24506420 | 0.69 | GABRD (0.40) | ACACBEP300ALDH1A1SMN1; SMN2 |
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-107787324-B | Process for preparing carbamoylaminopyrazole derivatives | 桑多斯股份公司 | 2020-05-19 | — | — | CN | disclosed |