Bicarbonate

Bicarbonate

SCHEMBL28531069

CCCCCN(C)C.O=C(O)O

nearest known ligand 0.70

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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
DNM1 Q05193 6/20 0.70
TSHR P16473 5/20 0.50
ALDH1A1 P00352 3/20 0.50
AKR1B1 P15121 1/20 0.46
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
GPR84 Q9NQS5 6/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44

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 SCHEMBL27740164 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Bicarbonate SCHEMBL28289848 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Bicarbonate SCHEMBL27740162 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Bicarbonate SCHEMBL4389120 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Bicarbonate SCHEMBL4389117 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Bicarbonate SCHEMBL27083091 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Bicarbonate SCHEMBL1689392 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Bicarbonate SCHEMBL414156 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Bicarbonate SCHEMBL30524909 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG
Dymanthine SCHEMBL27918138 0.97 DNM1 (0.75) DNM1TSHRALDH1A1GPR84PPARG

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
CN-108201773-B Method for absorbing volatile organic compounds in gas by using hydrophilic switchable reversible solvent 昆明理工大学 2021-03-02 CN disclosed
CN-108201773-A A kind of method that volatile organic matter in reversible solvent absorption gas can be switched using hydrophily 昆明理工大学 2018-06-26 CN disclosed