Bicarbonate

Bicarbonate

SCHEMBL9841170

CC1CCCCC1.O=C(O)O.O=C1C=CC(=O)N1

nearest known ligand 0.42

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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
GSK3A known ✓ P49840 1/20 0.42
GSK3B known ✓ P49841 1/20 0.42
CCR6 P51684 1/20 0.42
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.36
EPHX1 P07099 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CYP1A2 P05177 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL29010798 0.92 GSK3A (0.50) GSK3AGSK3BCCR6MAPTKMT2A
SCHEMBL29010973 0.92 GSK3A (0.50) GSK3AGSK3BCCR6MAPTKMT2A
SCHEMBL4938638 0.92 GSK3A (0.50) GSK3AGSK3BCCR6MAPTKMT2A
Methylcyclopentane SCHEMBL29010800 0.90 GSK3A (0.52) GSK3AGSK3BCCR6MAPTKMT2A
SCHEMBL29010977 0.83 GSK3A (0.55) GSK3AGSK3BCCR6MAPTKMT2A
SCHEMBL316039 0.79 GSK3A (0.41) GSK3AGSK3BCCR6KMT2AACHE
SCHEMBL29010933 0.79 GSK3A (0.61) GSK3AGSK3BCCR6CRBN
Bicarbonate SCHEMBL17847302 0.78 EPHX1 (0.50) MAPTKMT2AEPHX1CA1CA2
SCHEMBL20561062 0.78 GSK3A (0.44) GSK3AGSK3BCCR6KDM4EPOLB
Bicarbonate SCHEMBL4695324 0.78 EPHX1 (0.50) MAPTKMT2AEPHX1CA1CA2

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
EP-0411907-A2 Scattered total internal reflectance apparatus ORTHO DIAGNOSTIC SYSTEMS INC. (US) 1991-02-06 EP disclosed