Bicarbonate

Bicarbonate

SCHEMBL29092951

O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1.O=C([O-])[O-].[Zn+2]

nearest known ligand 0.89

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 5)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.89
TSHR P16473 2/20 0.64
LMNA P02545 1/20 0.64
HCAR3 P49019 13/20 0.58
APEX1 P27695 1/20 0.54

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
SCHEMBL504055 0.94 CASP6 (1.00) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL29577830 0.94 CASP6 (1.00) CASP6TSHRLMNAHCAR3APEX1
Hydrochloric Acid SCHEMBL11110871 0.92 CASP6 (0.96) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL10824709 0.92 CASP6 (0.96) CASP6TSHRLMNAHCAR3APEX1
Zinc Ion SCHEMBL6523817 0.81 CASP6 (0.70) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL11195885 0.81 CASP6 (0.75) CASP6TSHRLMNAHCAR3APEX1
Lithium Ion SCHEMBL30584158 0.81 CASP6 (0.69) CASP6TSHRLMNAHCAR3
Lithium Ion SCHEMBL10824708 0.81 CASP6 (0.69) CASP6TSHRLMNAHCAR3
SCHEMBL1632594 0.80 CASP6 (0.73) CASP6TSHRLMNAHCAR3
SCHEMBL27985417 0.80 CASP6 (0.74) CASP6TSHRLMNAHCAR3

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
CN-116716762-B Environment-friendly heat-sensitive paper with good durability and preparation method thereof 柏仁新材料(广州)股份有限公司 2024-02-13 CN disclosed
CN-116716762-A Environment-friendly heat-sensitive paper with good durability and preparation method thereof 柏仁新材料(广州)股份有限公司 2023-09-08 CN disclosed