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 | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 3/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6854526 | 0.91 | — | — | |
| SCHEMBL376147 | 0.73 | GRM5 (0.47) | CDK2HCAR2GRM5S1PR3NAPRT | |
| Bicarbonate SCHEMBL8778850 | 0.73 | HCAR2 (0.38) | HCAR2GRM5MEN1KMT2AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL1642640 | 0.71 | CDK2 (0.41) | CDK2HCAR2GRM5NAPRTMEN1 | |
| SCHEMBL138054 | 0.71 | — | — | |
| SCHEMBL31118151 | 0.70 | HCAR2 (0.46) | HCAR2NAPRTMEN1KMT2AALDH1A1 | |
| SCHEMBL27858703 | 0.70 | GRM5 (0.49) | CDK2HCAR2GRM5S1PR3NAPRT | |
| SCHEMBL162262 | 0.70 | HCAR2 (0.46) | HCAR2NAPRTMEN1KMT2AALDH1A1 | |
| SCHEMBL2924939 | 0.68 | CDK2 (0.39) | CDK2HCAR2GRM5NAPRTMEN1 | |
| SCHEMBL5306377 | 0.68 | CDK2 (0.39) | CDK2HCAR2GRM5S1PR3NAPRT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0559116-A2 | Microbiological process for the hydroxylation of nitrogen containing heterocyclic carbonic acids | LONZA AG (CH) | 1993-09-08 | — | — | EP | claimed |
| EP-0559116-B1 | Microbiological process for the hydroxylation of nitrogen containing heterocyclic carbonic acids | LONZA AG (CH) | 1997-05-28 | — | — | EP | disclosed |
| EP-0559116-A2 | Microbiological process for the hydroxylation of nitrogen containing heterocyclic carbonic acids | LONZA AG (CH) | 1993-09-08 | — | — | EP | disclosed |