Bicarbonate

Bicarbonate

SCHEMBL3434734

CCCc1ccc(F)cc1.O=C(O)O

nearest known ligand 0.58

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 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
FFAR1 O14842 1/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
PLK1 P53350 1/20 0.50
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
HIF1A Q16665 1/20 0.49
THRB P10828 1/20 0.48
HSD17B10 Q99714 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47

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
SCHEMBL17068942 0.89 TAAR1 (0.56) TDP1LMNAALDH1A1GAAHPGD
SCHEMBL371244 0.89 TAAR1 (0.56) TDP1LMNAALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL7988601 0.86 TAAR1 (0.54) TDP1LMNAALDH1A1GAAHPGD
Ammonia Solution, Strong SCHEMBL6187599 0.86 TAAR1 (0.54) TDP1LMNAALDH1A1GAAHPGD
SCHEMBL4846241 0.83 LMNA (0.54) TDP1LMNAALDH1A1GAAHPGD
Dimethylamine SCHEMBL4661334 0.82 TAAR1 (0.61) TDP1LMNAALDH1A1GAAHPGD
SCHEMBL8511928 0.82 TAAR1 (0.56) TDP1LMNAALDH1A1GAAHPGD
SCHEMBL7552100 0.82 MAOB (0.59) TDP1LMNAALDH1A1GAAHPGD
Acetic Acid SCHEMBL27813854 0.82 ALDH1A1 (0.61) TDP1ALDH1A1GAAHPGDFFAR1
SCHEMBL4115930 0.81 GAA (0.61) TDP1LMNAALDH1A1GAAPOLB

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-1051980-B1 Dopamine transporter imaging agents HARVARD COLLEGE (US) 2010-12-15 EP claimed