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 | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 6/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.40 |
| ▸ | CDK2 | P24941 | 5/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 SCHEMBL17836508 | 0.90 | PRKAB2 (0.39) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL15007076 | 0.87 | CHEK1 (0.40) | CHEK1CCNA2CDK2CCNA1PRKAB2 | |
| SCHEMBL15007075 | 0.87 | CHEK1 (0.40) | CHEK1CCNA2CDK2CCNA1PRKAB2 | |
| SCHEMBL15031456 | 0.87 | CHEK1 (0.40) | CHEK1CCNA2CDK2CCNA1PRKAB2 | |
| Bicarbonate SCHEMBL17836506 | 0.87 | CHEK1 (0.43) | CHEK1CCNA2CDK2CCNA1KDR | |
| Bicarbonate SCHEMBL17836487 | 0.86 | CHEK1 (0.44) | CHEK1CCNA2CDK2CCNA1PRKAB2 | |
| Bicarbonate SCHEMBL17836393 | 0.83 | CHEK1 (0.47) | CHEK1CCNA2CDK2CCNA1KDR | |
| Bicarbonate SCHEMBL17836451 | 0.82 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1KDR | |
| Bicarbonate SCHEMBL17836471 | 0.81 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1MEN1 | |
| Bicarbonate SCHEMBL17836379 | 0.81 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2608669-B1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME (US) | 2016-06-22 | — | — | EP | claimed |