Bicarbonate

Bicarbonate

SCHEMBL9505732

CCN(CCN(CCN(CC)CC(N)=O)CC(=O)O)CC(N)=O.O=C(O)O.O=C(O)O

nearest known ligand 0.54

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
TDP1 Q9NUW8 2/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
EYA2 O00167 1/20 0.50
APP P05067 1/20 0.50
ACE P12821 1/20 0.50

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
SCHEMBL1102344 0.87 TDP1 (0.70) TDP1BLMPMP22KDM4ELMNA
SCHEMBL9505711 0.86 TDP1 (0.44) TDP1BLMPMP22KDM4ELMNA
SCHEMBL25935738 0.85 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL21539376 0.85 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL6151050 0.85 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL15499755 0.85 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL8537755 0.85 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL21172805 0.85 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL8988039 0.85 TDP1 (0.68) TDP1BLMPMP22KDM4ELMNA
SCHEMBL22571480 0.83 TDP1 (0.70) TDP1BLMPMP22KDM4ELMNA

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-0436579-B1 CHELATE COMPOSITIONS NYCOMED SALUTAR, INC. (US) 1993-08-04 EP claimed