Bicarbonate

Bicarbonate

SCHEMBL7838533

CC(O)C(N)Cc1ccccc1.O=C(O)O

nearest known ligand 0.56

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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 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.56
SLC6A2 P23975 2/20 0.55
TAAR1 Q96RJ0 2/20 0.55
MAOA P21397 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
CYP2A6 P11509 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
LAP3 P28838 3/20 0.55
ANPEP P15144 1/20 0.55
RNPEP Q9H4A4 1/20 0.55
DNPEP Q9ULA0 1/20 0.55
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
CYP2D6 P10635 1/20 0.52

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
SCHEMBL2232612 0.94 SLC6A2 (0.61) SLC15A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL29941240 0.94 SLC6A2 (0.61) SLC15A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6191623 0.94 SLC6A2 (0.61) SLC15A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6193282 0.94 SLC6A2 (0.61) SLC15A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL8091553 0.94 SLC6A2 (0.61) SLC15A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL23752456 0.94 SLC6A2 (0.61) SLC15A1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL27535848 0.92 SLC6A2 (0.59) SLC15A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL8561050 0.81 ALPI (0.60) SLC15A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL7959353 0.79 ALPI (0.58) SLC15A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6321788 0.79 ALPI (0.58) SLC15A1SLC6A2TAAR1MAOASLC6A4

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-0778827-B1 PROCESS FOR PRODUCING A BETA-AMINO ALCOHOL DEGUSSA (DE) 2001-12-12 EP disclosed