Bicarbonate

Bicarbonate

SCHEMBL28829208

CCCCCCC(O)CCO.O=C(O)O

nearest known ligand 0.66

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 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.66
FFAR4 Q5NUL3 1/20 0.66
GPR84 Q9NQS5 8/20 0.62
NFKB1 P19838 1/20 0.53
PSMD14 O00487 2/20 0.53
PLA2G1B P04054 2/20 0.53
MMP2 P08253 2/20 0.53
ATG4B Q9Y4P1 2/20 0.53
HSP90AA1 P07900 1/20 0.53
RAD52 P43351 1/20 0.53
FAAH O00519 2/20 0.53
ACE2 Q9BYF1 1/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 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
Acetic Acid SCHEMBL27652869 0.94 FFAR1 (0.63) FFAR1FFAR4GPR84NFKB1PSMD14
Acetic Acid SCHEMBL1171378 0.94 FFAR1 (0.63) FFAR1FFAR4GPR84NFKB1PSMD14
Acetic Acid SCHEMBL3205436 0.92 FFAR1 (0.60) FFAR1FFAR4GPR84NFKB1PSMD14
SCHEMBL16074935 0.91 FFAR4 (0.57) FFAR1FFAR4GPR84NFKB1PSMD14
SCHEMBL21660117 0.91 FFAR4 (0.57) FFAR1FFAR4GPR84NFKB1PSMD14
SCHEMBL23188459 0.91 FFAR4 (0.57) FFAR1FFAR4GPR84NFKB1PSMD14
SCHEMBL887247 0.91 FFAR4 (0.57) FFAR1FFAR4GPR84NFKB1PSMD14
SCHEMBL22910843 0.91 FFAR4 (0.57) FFAR1FFAR4GPR84NFKB1PSMD14
SCHEMBL19949219 0.91 FFAR4 (0.57) FFAR1FFAR4GPR84NFKB1PSMD14
SCHEMBL7209288 0.91 FFAR4 (0.57) FFAR1FFAR4GPR84NFKB1PSMD14

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-110167995-B Plasticized PVC compounds having surface-modified macromolecules and articles made therefrom 界面生物公司 2022-07-01 CN disclosed