Bicarbonate

Bicarbonate

SCHEMBL28650787

Nc1ccccc1Cl.O=C(O)O

nearest known ligand 0.75

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
TSHR P16473 3/20 0.75
ALDH1A1 P00352 5/20 0.50
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NR4A2 P43354 1/20 0.44
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKR1B1 P15121 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.41

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 SCHEMBL7836902 0.91 TSHR (0.68) TSHRALDH1A1CES2CES1POLB
Benzene SCHEMBL27633873 0.87 TSHR (0.88) TSHRALDH1A1NR4A2LMNACYP3A4
Glycine SCHEMBL27900643 0.87 TSHR (0.62) TSHRALDH1A1CES2CES1POLB
Maleic Acid SCHEMBL7194412 0.87 TSHR (0.62) TSHRALDH1A1CES2CES1POLB
Fumaric Acid SCHEMBL742919 0.87 TSHR (0.62) TSHRALDH1A1CES2CES1POLB
SCHEMBL29472208 0.87
SCHEMBL25495 0.87
Formaldehyde SCHEMBL6858464 0.84 TSHR (0.83) TSHRALDH1A1CES2CES1RECQL
Methyl Alcohol SCHEMBL27890061 0.84 TSHR (0.83) TSHRALDH1A1CES2CES1RECQL
Ammonia Solution, Strong SCHEMBL10464135 0.84

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-113548972-A Production process of 3, 3' -dichlorobenzidine hydrochloride 济宁祥泰和新材料科技有限公司 2021-10-26 CN disclosed