Bicarbonate

Bicarbonate

SCHEMBL28057192

CCCCCCCCCCCCCC[N+](C)(C)C.O=C([O-])O

nearest known ligand 0.68

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 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.68
APAF1 O14727 1/20 0.62
HSP90AA1 P07900 1/20 0.62
RAD52 P43351 1/20 0.62
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
APEX1 P27695 3/20 0.50
NFKB1 P19838 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ACHE P22303 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PMP22 Q01453 2/20 0.50
LMNA P02545 2/20 0.50
LSS P48449 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
Bicarbonate SCHEMBL28072729 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Bicarbonate SCHEMBL28072719 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Bicarbonate SCHEMBL28072659 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Bicarbonate SCHEMBL28072727 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Bicarbonate SCHEMBL28963197 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Cetrimonium SCHEMBL9739313 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Bicarbonate SCHEMBL4444257 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Bicarbonate SCHEMBL28323254 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Bicarbonate SCHEMBL9724761 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1
Bicarbonate SCHEMBL22630884 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112916211-A Mineral agent for flotation of lithium potassium sulfate 宁波行殊新能源科技有限公司 2021-06-08 CN claimed
CN-112916211-A Mineral agent for flotation of lithium potassium sulfate 宁波行殊新能源科技有限公司 2021-06-08 CN disclosed
CN-103276403-B A kind of method preparing long-chain alkyl ammonium hydroxide CHINESE DAILY USE CHEMICAL INDUSTRY RESEARCH INST. (CN) 2016-02-10 CN disclosed