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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 16/20 | 0.56 |
| ▸ | NAE1 | Q13564 | 2/20 | 0.38 |
| ▸ | UBA3 | Q8TBC4 | 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL7518952 | 0.97 | P2RY12 (0.57) | P2RY12NAE1UBA3 | |
| Bicarbonate SCHEMBL7514070 | 0.90 | P2RY12 (0.52) | P2RY12NAE1UBA3 | |
| Bicarbonate SCHEMBL7510727 | 0.89 | P2RY12 (0.52) | P2RY12NAE1UBA3 | |
| Carbamic Acid SCHEMBL7502884 | 0.88 | P2RY12 (0.53) | P2RY12NAE1UBA3 | |
| Bicarbonate SCHEMBL7510959 | 0.87 | P2RY12 (0.73) | P2RY12 | |
| Carbamic Acid SCHEMBL7516983 | 0.86 | P2RY12 (0.53) | P2RY12NAE1UBA3 | |
| SCHEMBL7516058 | 0.86 | P2RY12 (0.77) | P2RY12NAE1UBA3 | |
| SCHEMBL7516050 | 0.86 | P2RY12 (0.77) | P2RY12NAE1UBA3 | |
| Carbamic Acid SCHEMBL7511690 | 0.85 | P2RY12 (0.72) | P2RY12 | |
| SCHEMBL7510382 | 0.85 | P2RY12 (0.77) | P2RY12 |
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-0946561-B1 | TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS | ASTRAZENECA AB (SE) | 2002-02-13 | — | — | EP | claimed |