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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 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 | |
|---|---|---|---|---|
| SCHEMBL2629277 | 0.91 | — | — | |
| Bicarbonate SCHEMBL8778741 | 0.73 | CDK2 (0.43) | HCAR2GRM5KDM4ECYP2C9CYP2C19 | |
| SCHEMBL110425 | 0.71 | — | — | |
| SCHEMBL25429171 | 0.71 | CYP11B1 (0.34) | GRM5ALDH1A1 | |
| SCHEMBL31118151 | 0.70 | HCAR2 (0.46) | HCAR2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL162262 | 0.70 | HCAR2 (0.46) | HCAR2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL9659243 | 0.68 | HCAR2 (0.38) | HCAR2GRM5KDM4ECYP2C9CYP2C19 | |
| SCHEMBL22711336 | 0.67 | GRM5 (0.49) | HCAR2GRM5KDM4EALDH1A1MAPK1 | |
| SCHEMBL1672462 | 0.65 | — | — | |
| Bicarbonate SCHEMBL8778857 | 0.65 | KDM4E (0.52) | HCAR2KDM4ESMN1; SMN2MEN1KMT2A |
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 |