Bicarbonate

Bicarbonate

SCHEMBL7762070

O=C(Nc1ccc(C2CC2)cc1)c1cccc(NC2=NCCCN2)c1.O=C(O)O

nearest known ligand 0.76

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 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.76
ITGAV P06756 18/20 0.76
ITGA2B P08514 18/20 0.76
ITGB1 P05556 10/20 0.76
ITGB5 P18084 10/20 0.76

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
SCHEMBL7345191 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7370505 0.81 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495445 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495439 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL30073956 0.79 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6225428 0.79 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL25605068 0.77 ADRA2A (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500788 0.76 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7494201 0.76 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500781 0.76 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5

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-0889875-B1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES SEARLE & CO (US) 2001-06-20 EP claimed