Sugi Predict

Sugi Predict / Compounds / Bicarbonate

Bicarbonate

Bicarbonate

SCHEMBL28022646

CC(C)(C)COCC(C)(C)C.O=C(O)O

nearest known ligand 0.39

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 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.39
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HMGCR P04035 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ FFAR3 O14843 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
Acetic Acid SCHEMBL7488788 0.91 FFAR3 (0.41) CYP2C19TSHRALDH1A1HMGCRCHRM1
Acetone SCHEMBL2146925 0.88 CYP2C19 (0.39) CYP2C19TSHRALDH1A1LMNAHSD17B10
Malonic Acid SCHEMBL28848012 0.86 LDHA (0.47) CYP2C19TSHRALDH1A1HMGCRCHRM1
SCHEMBL13104262 0.86 CYP2C9 (0.39) CYP2C19TSHRALDH1A1HMGCRCHRM1
Methyl Alcohol SCHEMBL4271767 0.83 CYP2C19 (0.38) CYP2C19TSHR
SCHEMBL18191 0.83 CYP2C19 (0.42) CYP2C19TSHR
Methacrylic Acid SCHEMBL16337475 0.82 TET2 (0.35) CYP2C19TSHRALDH1A1
Bicarbonate SCHEMBL29015753 0.81 CYP2C19 (0.39) CYP2C19TSHRALDH1A1HMGCRCHRM1
SCHEMBL703051 0.80 TSHR (0.38) CYP2C19TSHRALDH1A1HMGCRCHRM1
Butanone SCHEMBL9282300 0.80 ALDH1A1 (0.53) CYP2C19TSHRALDH1A1FFAR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110249470-A For alkali metal-sulphur system secondary cell electrolyte and alkali metal-sulphur system secondary cell 学校法人关西大学 2019-09-17 — — CN disclosed
CN-106133986-B Electrolyte and electrochemical device 大金工业株式会社 2019-07-09 — — CN disclosed
CN-106415910-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-05-03 — — CN disclosed
CN-109301162-A NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME 三菱化学株式会社 2019-02-01 — — CN disclosed
CN-105074994-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same 三菱化学株式会社 2018-10-19 — — CN disclosed
CN-107078352-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2017-08-18 — — CN disclosed
CN-106415910-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2017-02-15 — — CN disclosed
CN-106133986-A Electrolyte and electrochemical device 大金工业株式会社 2016-11-16 — — CN disclosed
CN-106104898-A Electrolyte, electrochemical device, lithium rechargeable battery and assembly 大金工业株式会社 2016-11-09 — — CN disclosed
CN-105555381-A Method for treating mixed solution SANWA YUKA KOGYO CO LTD 2016-05-04 — — CN disclosed
CN-102484284-B Nonaqueous electrolyte battery and nonaqueous electrolyte solution MITSUBISHI CHEMICAL CORP. (JP) 2016-04-20 — — CN disclosed
CN-105074994-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-11-18 — — CN disclosed
CN-104704671-A Electrolyte solution, electrochemical device, lithium battery, and module DAIKIN IND LTD 2015-06-10 — — CN disclosed