Bicarbonate

Bicarbonate

SCHEMBL14660281

CC1CC1=Cc1ccccc1.O=C(O)O

nearest known ligand 0.41

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
HPGD P15428 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNA7 P36544 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 4/20 0.39
AKR1C3 P42330 1/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 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
SCHEMBL118039 0.92 CHRNB2 (0.46) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Silicate SCHEMBL11242395 0.89 HPGD (0.40) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Butadiene SCHEMBL4458837 0.84 HPGD (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL4895288 0.82 ALDH1A1 (0.54) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL693301 0.82 ALDH1A1 (0.54) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7939095 0.82 HPGD (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5406615 0.82 ACHE (0.35) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Acrylonitrile SCHEMBL8754554 0.78 CHRNB2 (0.37) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3693208 0.74 MAOB (0.44) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19010026 0.73 CHRNB2 (0.39) HPGDCHRNB2CHRNB4CHRNA3CHRNA4

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-2736529-A2 STABILIZED FORMULATIONS CONTAINING ANTI-PCSK9 ANTIBODIES Regeneron Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013016648-A2 STABILIZED FORMULATIONS CONTAINING ANTI-PCSK9 ANTIBODIES REGENERON PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed