Bicarbonate

Bicarbonate

SCHEMBL11027352

CC(=O)NC1CC1.O=C(O)O

nearest known ligand 0.52

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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
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.44
EPHX2 P34913 2/20 0.44
KDM1A O60341 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
EPHX1 P07099 6/20 0.41
ALOX15 P16050 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
FASN P49327 1/20 0.39

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
SCHEMBL284318 0.94 ATM (0.56) ATMALDH1A1KDM4EPOLBEPHX2
SCHEMBL284342 0.94 ATM (0.56) ATMALDH1A1KDM4EPOLBEPHX2
SCHEMBL50350 0.94
SCHEMBL284319 0.94 ATM (0.56) ATMALDH1A1KDM4EPOLBEPHX2
Water SCHEMBL27364290 0.92
Hydrochloric Acid SCHEMBL27752288 0.92
SCHEMBL852876 0.90 ATM (0.48) ATMALDH1A1KDM4EPOLBEPHX2
SCHEMBL852875 0.90 ATM (0.48) ATMALDH1A1KDM4EPOLBEPHX2
Nitrogen SCHEMBL27858935 0.89
SCHEMBL23735497 0.86 EPHX2 (0.61) ATMALDH1A1KDM4EEPHX2MTNR1A

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
EP-0073391-B1 METAL COMPLEXES OF 1-AMINOCYCLOPROPANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS BAYER AG (DE) 1985-03-06 EP disclosed
EP-0073391-A1 Metal complexes of 1-aminocyclopropane-carboxylic acids, process for their preparation and their use as plant growth regulators BAYER AG (DE) 1983-03-09 EP disclosed