Bicarbonate

Bicarbonate

SCHEMBL7510959

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1CC[C@@H](O)[C@H]1O.O=C(O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

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 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.73
▸ 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.

Compoundsimilaritytop predictedshared targets
Carbamic Acid SCHEMBL7511690 0.96 P2RY12 (0.72) P2RY12USP28
SCHEMBL6997872 0.94 P2RY12 (0.68) P2RY12
SCHEMBL2067079 0.93 P2RY12 (0.73) P2RY12
SCHEMBL7515280 0.92 P2RY12 (0.66) P2RY12
SCHEMBL7512097 0.90 P2RY12 (0.62) P2RY12
Bicarbonate SCHEMBL7511337 0.89 P2RY12 (0.63) P2RY12USP28
SCHEMBL7510944 0.89 P2RY12 (0.61) P2RY12
SCHEMBL7508486 0.89 P2RY12 (0.61) P2RY12
Bicarbonate SCHEMBL7509640 0.89 P2RY12 (0.66) P2RY12
Carbamic Acid SCHEMBL7515314 0.88 P2RY12 (0.61) P2RY12USP28

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 — — EP claimed
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