Bicarbonate

Bicarbonate

SCHEMBL9023720

CCC(C#N)(CC)CC.O=C(O)O

nearest known ligand 0.40

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 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8538971 0.85
SCHEMBL3252979 0.82 FFAR3 (0.41) FFAR3ALDH1A1TSHRMEN1KMT2A
Acetonitrile SCHEMBL28239628 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9023718 0.79 ALDH1A1 (0.45) FFAR3ALDH1A1TSHRMEN1KMT2A
SCHEMBL20059261 0.77 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL28143985 0.77 TET2 (0.45) FFAR3ALDH1A1TSHR
SCHEMBL6043162 0.74
SCHEMBL6043172 0.74
SCHEMBL3305001 0.70 LAP3 (0.34)
Bicarbonate SCHEMBL10931175 0.70 TSHR (0.33) ALDH1A1TSHRMEN1KMT2A

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-0725063-A1 Quinoline derivatives CIBA-GEIGY AG (CH) 1996-08-07 EP disclosed