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 | 10/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.46 |
| ▸ | CDK2 | P24941 | 10/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.35 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | STAT1 | P42224 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
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 SCHEMBL17836357 | 0.88 | CHEK1 (0.38) | CHEK1CCNA2CDK2CCNA1GRM4 | |
| Bicarbonate SCHEMBL17836378 | 0.87 | CHEK1 (0.37) | CHEK1CCNA2CDK2CCNA1GRM4 | |
| SCHEMBL15031459 | 0.86 | CHEK1 (0.44) | CHEK1CCNA2CDK2CCNA1GRM4 | |
| SCHEMBL15007117 | 0.86 | CHEK1 (0.44) | CHEK1CCNA2CDK2CCNA1GRM4 | |
| SCHEMBL15007116 | 0.86 | CHEK1 (0.44) | CHEK1CCNA2CDK2CCNA1GRM4 | |
| SCHEMBL15007523 | 0.85 | CHEK1 (0.43) | CHEK1CCNA2CDK2CCNA1GRM4 | |
| Bicarbonate SCHEMBL17836414 | 0.81 | MELK (0.36) | CHEK1CCNA2CDK2CCNA1TTK | |
| Bicarbonate SCHEMBL17836421 | 0.81 | CHEK1 (0.47) | CHEK1CCNA2CDK2CCNA1GRM4 | |
| Bicarbonate SCHEMBL17836507 | 0.81 | NPC1 (0.36) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| Bicarbonate SCHEMBL17836441 | 0.79 | CHEK1 (0.52) | CHEK1CCNA2CDK2CCNA1GRM2 |
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 |