Bicarbonate

Bicarbonate

SCHEMBL9617899

CN(C)CCCN.O=C(O)O

nearest known ligand 0.50

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 0.50
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 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
Oxalic Acid SCHEMBL5863172 0.92 TDP1 (0.48) TDP1TSHRALDH1A1CYP2C9CYP2C19
Acetic Acid SCHEMBL3260807 0.92 TDP1 (0.48) TDP1TSHRALDH1A1CYP2C9CYP2C19
Carbamic Acid SCHEMBL15212189 0.92 TDP1 (0.48) TDP1TSHRALDH1A1CYP2C9CYP2C19
Glycine SCHEMBL149185 0.90 GLRA1 (0.48) TDP1TSHRALDH1A1CYP2C9CYP2C19
Urea SCHEMBL2672240 0.90 TDP1 (0.50) TDP1TSHRALDH1A1CYP2C9CYP2C19
Glycolic Acid SCHEMBL4565840 0.88 TDP1 (0.45) TDP1TSHRALDH1A1CYP2C9CYP2C19
Propionic Acid SCHEMBL27996411 0.88 FFAR3 (0.46) TDP1TSHRALDH1A1CYP2C9CYP2C19
Maleic Acid SCHEMBL27863762 0.86 TDP1 (0.43) TDP1TSHRALDH1A1CYP2C9CYP2C19
Adipic Acid SCHEMBL1006656 0.86 NFKB1 (0.62) TSHRALDH1A1LMNATHRBBLM
SCHEMBL30161 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4065416-A None JP disclosed
US-20240279420-A1 POLYOL BLENDED LIQUID COMPOSITION FOR PRODUCTION OF HYDROCHLOROFLUOROOLEFIN BLOWN POLYURETHANE FOAM, AND ITS APPLICATION TOSOH CORPORATION (JP) 2024-08-22 US disclosed
WO-2022239734-A1 POLYOL-BASED MIXED LIQUID COMPOSITION FOR PRODUCING HYDROCHLOROFUROOLEFIN FOAMED POLYURETHANE FOAM, AND USE THEREOF 東ソー株式会社 2022-11-17 WO disclosed
JP-H0465416-A CATALYST FOR FOAMED URETHANE SAN APURO KK 1992-03-02 JP disclosed
JP-H00465416-A 0001-01-01 JP disclosed