Bicarbonate

Bicarbonate

SCHEMBL31484615

O=C(O)O.c1cnc(-c2cnccn2)cn1

nearest known ligand 0.56

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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 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NAPRT Q6XQN6 1/20 0.56
ADORA3 P0DMS8 1/20 0.48
TSHR P16473 1/20 0.48
MC4R P32245 1/20 0.48
ADRA1A P35348 1/20 0.48
MC3R P41968 1/20 0.48
PIM2 Q9P1W9 2/20 0.45
PIM1 P11309 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ALDH1A1 P00352 2/20 0.43
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
HCAR3 P49019 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 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
SCHEMBL29598957 0.86 NISCH (0.50) HCAR2KDM4ENAPRTADORA3TSHR
SCHEMBL78566 0.86 NISCH (0.50) HCAR2KDM4ENAPRTADORA3TSHR
SCHEMBL29454745 0.86 NISCH (0.50) HCAR2KDM4ENAPRTADORA3TSHR
SCHEMBL31372462 0.83 NISCH (0.48) HCAR2KDM4ENAPRTADORA3TSHR
SCHEMBL14053846 0.83 NISCH (0.48) HCAR2KDM4ENAPRTADORA3TSHR
Hydrochloric Acid SCHEMBL3640139 0.83 NISCH (0.48) HCAR2KDM4ENAPRTADORA3TSHR
SCHEMBL9794662 0.83 NISCH (0.48) HCAR2KDM4ENAPRTADORA3TSHR
SCHEMBL1830422 0.81 KDM4E (0.64) HCAR2KDM4ENAPRTADORA3TSHR
Hydrochloric Acid SCHEMBL30272980 0.80 NISCH (0.46) HCAR2KDM4ENAPRTADORA3TSHR
SCHEMBL30253050 0.80 KDM4E (0.47) HCAR2KDM4ENAPRTADORA3TSHR

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
CN-119775215-A Spin-control-induced CO2 reduction catalytic material and preparation and application methods thereof 常州大学 2025-04-08 CN disclosed