Bicarbonate

Bicarbonate

SCHEMBL3433022

NCC(Cl)CCl.O=C(O)O

nearest known ligand 0.41

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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 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRR1 P24046 2/20 0.35
LMNA P02545 2/20 0.35
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
ALDH1A1 P00352 1/20 0.30
RNPEP Q9H4A4 1/20 0.30

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
SCHEMBL3431724 0.85
SCHEMBL690991 0.72
SCHEMBL6049457 0.69
SCHEMBL7518985 0.69
SCHEMBL7519154 0.69
SCHEMBL495774 0.69
SCHEMBL16860584 0.69 TP53 (0.38) TSHRTP53TDP1
SCHEMBL9998985 0.67
SCHEMBL7524706 0.67
SCHEMBL7517628 0.67

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
WO-2010065706-A1 MANUFACTURING PROCESS OF MAKING POLYMERIC AMINE SALTS NAVINTA LLC (US) 2010-06-10 WO disclosed