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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | SSTR3 | P32745 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 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 SCHEMBL7001344 | 0.91 | PDE5A (0.43) | PDE5AF2 | |
| SCHEMBL6707582 | 0.91 | PDE5A (0.38) | PDE5ACTSLPDE10AGAAFFAR1 | |
| Bicarbonate SCHEMBL7002335 | 0.91 | PDE5A (0.42) | PDE5AHDAC1HDAC6PDE3A | |
| SCHEMBL6709069 | 0.90 | P2RX7 (0.33) | PDE5ACDK1CTSLPDE10AGAA | |
| SCHEMBL6709067 | 0.90 | PDE5A (0.36) | PDE5ACTSLPDE10AFFAR1HDAC1 | |
| Bicarbonate SCHEMBL7004189 | 0.89 | P2RX3 (0.37) | PDE5AHDAC1HDAC6PDE3A | |
| Bicarbonate SCHEMBL6997209 | 0.89 | CHRM4 (0.40) | PDE5AGAA | |
| Bicarbonate SCHEMBL6996680 | 0.87 | SMN1; SMN2 (0.45) | PDE5AGAA | |
| SCHEMBL6706941 | 0.83 | PDE11A (0.46) | PDE5AHDAC1HDAC6 | |
| SCHEMBL6771429 | 0.82 | PDE5A (0.46) | PDE5AHDAC1HDAC6PDE3A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1355649-A2 | PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES | MERCK PATENT GmbH (DE) | 2003-10-29 | — | — | EP | disclosed |
| EP-1343506-A1 | PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINES AND ANTITHROMBOTIC AGENTS, CALCIUM-ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-09-17 | — | — | EP | disclosed |
| EP-1339410-A1 | USE OF PYRAZOLO 4,3-D]PYRIMIDINES | MERCK PATENT GmbH (DE) | 2003-09-03 | — | — | EP | disclosed |
| EP-1210349-B1 | PYRAZOLO 4,3-d]PYRIMIDINES | MERCK PATENT GMBH (DE) | 2003-01-29 | — | — | EP | disclosed |
| WO-2002060449-A2 | PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES | MERCK PATENT GMBH (DE) | 2002-08-08 | — | — | WO | disclosed |
| WO-2002049651-A1 | PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINES AND ANTITHROMBOTIC AGENTS, CALCIUM-ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-06-27 | — | — | WO | disclosed |
| WO-2002045716-A1 | USE OF PYRAZOLO[4,3-D]PYRIMIDINES | MERCK PATENT GMBH (DE) | 2002-06-13 | — | — | WO | disclosed |
| EP-1210349-A2 | PYRAZOLO 4,3-d]PYRIMIDINES | MERCK PATENT GmbH (DE) | 2002-06-05 | — | — | EP | disclosed |
| WO-2001018004-A2 | PYRAZOLO[4,3-d]PYRIMIDINES | MERCK PATENT GMBH (DE) | 2001-03-15 | — | — | WO | disclosed |