Bicarbonate

Bicarbonate

SCHEMBL8526689

NNC(=O)c1ccc2[nH]cnc2c1.NNC(=O)c1ccc2[nH]cnc2c1.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
HDAC6 Q9UBN7 1/20 0.54
HTT P42858 3/20 0.47
POLB P06746 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMYD3 Q9H7B4 1/20 0.44
CASP6 P55212 2/20 0.44
HDAC3 O15379 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL1055281 0.97 HDAC6 (0.56) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL1055278 0.84 HDAC6 (0.74) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL1608962 0.83 HDAC6 (0.77) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL29424777 0.81 HDAC6 (0.56) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL1299107 0.81 HDAC6 (0.56) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL2355361 0.81 HTT (0.55) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL5947 0.80 KDM4E (0.53) HDAC6HTTPOLBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2348443 0.80 HTT (0.55) HDAC6HTTPOLBKMT2AKDM4E
SCHEMBL1534628 0.80 HTT (0.52) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL5770698 0.80 HTT (0.55) HDAC6HTTPOLBCTNNB1WNT3A

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
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed