Bicarbonate

Bicarbonate

SCHEMBL28397287

CCC(C)COC(=O)OCC(C)CC.O=C(O)O

nearest known ligand 0.52

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 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.42
FFAR1 O14842 1/20 0.37
SOAT1 P35610 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS1 P23219 1/20 0.32
APEX1 P27695 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 2/20 0.31
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR88 Q9GZN0 4/20 0.31

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
SCHEMBL1127763 0.95 MAPT (0.50) MAPTALDH1A1FFAR1SOAT1MEN1
SCHEMBL25392616 0.95 MAPT (0.50) MAPTALDH1A1FFAR1SOAT1MEN1
SCHEMBL18924829 0.88 MAPT (0.46) MAPTALDH1A1FFAR1SOAT1MEN1
SCHEMBL5724509 0.88 ALDH1A1 (0.59) MAPTALDH1A1FFAR1SOAT1LMNA
SCHEMBL17173532 0.86 MAPT (0.44) MAPTALDH1A1FFAR1SOAT1MEN1
SCHEMBL27871158 0.86 MAPT (0.44) MAPTALDH1A1FFAR1SOAT1MEN1
SCHEMBL14244980 0.86 SOAT1 (0.50) MAPTALDH1A1FFAR1SOAT1TSHR
SCHEMBL696918 0.86 MAPT (0.47) MAPTALDH1A1FFAR1SOAT1TSHR
SCHEMBL5012805 0.85 MAPT (0.43) MAPTALDH1A1FFAR1LMNACYP3A4
SCHEMBL23969102 0.85 MAPT (0.43) MAPTALDH1A1FFAR1SOAT1GPR88

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
CN-111039333-A Perovskite material, method for preparing same, and secondary battery comprising perovskite material 三星电子株式会社 2020-04-21 CN disclosed