Bicarbonate

Bicarbonate

SCHEMBL9375006

O=C(O)O.c1cnc(C2=NCCN2)nc1

nearest known ligand 0.52

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 3)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.52
ACHE P22303 1/20 0.44
FDPS P14324 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL9375560 0.89 NISCH (0.61) NISCH
SCHEMBL9195272 0.74 NISCH (0.53) NISCH
SCHEMBL1836133 0.74 KDM4E (0.61) NISCHACHE
Bicarbonate SCHEMBL9412972 0.72 NISCH (0.51) NISCHACHE
SCHEMBL14496851 0.72 NISCH (0.62) NISCH
SCHEMBL7279147 0.71 P4HA1 (0.58) NISCH
SCHEMBL548286 0.71 NISCH (0.55) NISCH
Hydrochloric Acid SCHEMBL3900407 0.71 NISCH (0.61) NISCH
SCHEMBL10473113 0.70 NISCH (0.45) NISCHACHE
SCHEMBL11631248 0.70 NISCH (0.41) NISCH

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595015-A1 Imidazolinyl-pyrimidines and their use as herbicides BAYER AG (DE) 1994-05-04 EP disclosed
EP-0581086-A1 Imidazolynyl-pyrimidines and their use as herbicides and fungicides BAYER AG (DE) 1994-02-02 EP disclosed