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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 8/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
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 SCHEMBL28515282 | 0.98 | KDM4E (0.50) | KDM4ETBXAS1KMT2ACYP17A1TBXA2R | |
| Acetic Acid SCHEMBL29271968 | 0.95 | KDM4E (0.48) | KDM4ETBXAS1KMT2ACYP17A1TBXA2R | |
| Acetic Acid SCHEMBL28757036 | 0.95 | KDM4E (0.48) | KDM4ETBXAS1KMT2ACYP17A1TBXA2R | |
| Bicarbonate SCHEMBL28509725 | 0.94 | KDM4E (0.51) | KDM4ETBXAS1KMT2ACYP17A1TBXA2R | |
| SCHEMBL16163925 | 0.92 | TBXAS1 (0.49) | KDM4ETBXAS1KMT2ACYP17A1 | |
| SCHEMBL10456414 | 0.92 | TBXAS1 (0.49) | KDM4ETBXAS1KMT2ACYP17A1 | |
| SCHEMBL16163817 | 0.92 | TBXAS1 (0.49) | KDM4ETBXAS1KMT2ACYP17A1 | |
| SCHEMBL5086764 | 0.92 | TBXAS1 (0.49) | KDM4ETBXAS1KMT2ACYP17A1 | |
| SCHEMBL5090773 | 0.92 | TBXAS1 (0.49) | KDM4ETBXAS1KMT2ACYP17A1 | |
| SCHEMBL28401023 | 0.92 | TBXAS1 (0.49) | KDM4ETBXAS1KMT2ACYP17A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112321399-B | Preparation method of chemical intermediate | 漯河豫博生物化工有限公司 | 2022-10-18 | — | — | CN | claimed |
| CN-112299968-B | Preparation method of chemical raw material | 广州彼西络科技有限公司 | 2022-05-06 | — | — | CN | claimed |
| CN-112299969-A | Application of imidazole carbonate in preparation of important chemical raw materials | 山东卓俊实业有限公司 | 2021-02-02 | — | — | CN | claimed |
| CN-112321399-B | Preparation method of chemical intermediate | 漯河豫博生物化工有限公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-112299968-B | Preparation method of chemical raw material | 广州彼西络科技有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-112479838-A | Application of imidazole carbonate in preparation of chemical intermediates | 山东卓俊实业有限公司 | 2021-03-12 | — | — | CN | disclosed |
| CN-112321399-A | Preparation method of chemical intermediate | 山东卓俊实业有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-112299968-A | Preparation method of chemical raw material | 山东卓俊实业有限公司 | 2021-02-02 | — | — | CN | disclosed |
| CN-112299969-A | Application of imidazole carbonate in preparation of important chemical raw materials | 山东卓俊实业有限公司 | 2021-02-02 | — | — | CN | disclosed |