Bicarbonate

Bicarbonate

SCHEMBL18917593

O=C(O)O.OC=CCc1cccc2ccccc12

nearest known ligand 0.56

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 1/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 2/20 0.49
CTNNB1 P35222 1/20 0.47
ACP3 P15309 1/20 0.46
MTNR1A P48039 2/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1325661 0.93 TDP1 (0.48) TDP1MEN1KMT2AMAPTCYP1A2
SCHEMBL7404593 0.83 TDP1 (0.56) TDP1MEN1KMT2AMAPTCYP1A2
SCHEMBL4272023 0.83 TDP1 (0.56) TDP1MEN1KMT2AMAPTCYP1A2
Bicarbonate SCHEMBL28922932 0.79 TDP1 (0.56) TDP1MEN1KMT2AMAPTCYP1A2
SCHEMBL10797201 0.79 KDM4E (0.47) TDP1MEN1KMT2ACYP1A2NR4A1
SCHEMBL7443128 0.78 MTNR1A (0.50) TDP1MEN1KMT2ACYP1A2CTNNB1
SCHEMBL6411524 0.77 CYP1A2 (0.52) TDP1MEN1KMT2AMAPTCYP1A2
SCHEMBL27980048 0.77 ALDH1A1 (0.40) TDP1MEN1KMT2AMAPTCYP1A2
SCHEMBL10750285 0.77 MAOB (0.58) TDP1MEN1KMT2ACYP1A2ACP3
SCHEMBL29176451 0.77 HTT (0.50) TDP1MEN1KMT2ACYP1A2CTNNB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896530-B2 Copolymer, coloring material dispersion, ink, and ink store container RICOH COMPANY, LTD. (JP) 2018-02-20 US disclosed
US-20170158794-A1 COPOLYMER, COLORING MATERIAL DISPERSION, INK, AND INK STORE CONTAINER RICOH COMPANY, LTD. (JP) 2017-06-08 US disclosed