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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 18/20 | 0.63 |
| ▸ | NAE1 | Q13564 | 1/20 | 0.42 |
| ▸ | UBA3 | Q8TBC4 | 1/20 | 0.42 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.41 |
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 SCHEMBL7510618 | 0.94 | P2RY12 (0.65) | P2RY12NAE1UBA3USP28 | |
| SCHEMBL7510820 | 0.93 | P2RY12 (0.57) | P2RY12NAE1UBA3 | |
| Carbamic Acid SCHEMBL7514943 | 0.91 | P2RY12 (0.64) | P2RY12NAE1UBA3USP28 | |
| Bicarbonate SCHEMBL7510959 | 0.89 | P2RY12 (0.73) | P2RY12USP28 | |
| SCHEMBL7000586 | 0.89 | P2RY12 (0.61) | P2RY12NAE1UBA3USP28 | |
| Bicarbonate SCHEMBL7509640 | 0.89 | P2RY12 (0.66) | P2RY12 | |
| Bicarbonate SCHEMBL7509039 | 0.87 | P2RY12 (0.58) | P2RY12USP28 | |
| SCHEMBL7001051 | 0.87 | P2RY12 (0.56) | P2RY12USP28 | |
| SCHEMBL7509010 | 0.87 | P2RY12 (0.80) | P2RY12 | |
| SCHEMBL7509019 | 0.87 | P2RY12 (0.80) | 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 |