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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | POLB | P06746 | 7/20 | 0.46 |
| ▸ | GRK2 | P25098 | 4/20 | 0.46 |
| ▸ | RECQL | P46063 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 SCHEMBL6619612 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAAKMT2APOLBGRK2 | |
| SCHEMBL1940015 | 0.92 | PLCG1 (0.52) | ALDH1A1GAAKMT2APOLBGRK2 | |
| SCHEMBL1939147 | 0.82 | PLCG1 (0.55) | ALDH1A1GAAKMT2APOLBGRK2 | |
| SCHEMBL4098679 | 0.77 | ALDH1A1 (0.71) | ALDH1A1GAAKMT2ALMNACYP3A4 | |
| SCHEMBL21590247 | 0.77 | PLCG1 (0.46) | KMT2APOLBGRK2RECQLLMNA | |
| SCHEMBL5098411 | 0.76 | GAA (0.61) | ALDH1A1GAAKMT2APOLBGRK2 | |
| SCHEMBL6133069 | 0.76 | TSHR (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19THRB | |
| SCHEMBL14081009 | 0.75 | MAPK1 (0.57) | ALDH1A1KMT2AMAPK1KDM4EHSD11B1 | |
| SCHEMBL1941210 | 0.73 | CA2 (0.67) | ALDH1A1KMT2APOLBGRK2RECQL | |
| SCHEMBL5104880 | 0.73 | PLCG1 (0.57) | ALDH1A1KMT2APOLBGRK2RECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487823-A1 | DERIVATIVES OF 4-(IMIDAZOL-5-YL)-2-(4-SULFOANILINO)PYRIMIDINE WITH CDK INHIBITORY ACTIVITY | AstraZeneca AB (SE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003076436-A1 | DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY | ASTRAZENECA AB (SE) | 2003-09-18 | — | — | WO | disclosed |