Bicarbonate

Bicarbonate

SCHEMBL29201415

CC(C)(C)c1nccn1C(C)(C)C.O=C(O)O

nearest known ligand 0.36

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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 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
TNKS O95271 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL422085 0.90 KCNH2 (0.33) KMT2ATNKS
Hydrochloric Acid SCHEMBL21110936 0.88 KCNH2 (0.32) KMT2ATNKS
SCHEMBL3732955 0.74 KMT2A (0.36) LMNAKMT2AKDM4EGRNSORT1
SCHEMBL17946249 0.74 KMT2A (0.31) ALDH1A1LMNAKMT2A
SCHEMBL9316350 0.72 KMT2A (0.34) KMT2AKDM4E
SCHEMBL24132990 0.71 KCNH2 (0.33)
SCHEMBL7426195 0.70 SMN1; SMN2 (0.41)
SCHEMBL15314833 0.69 KMT2A (0.36) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL16904743 0.69 ALDH1A1 (0.33) ALDH1A1LMNAKDM4E
SCHEMBL18472183 0.69 KCNH2 (0.33) KMT2A

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-117813334-A Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same 广荣化学株式会社 2024-04-02 CN disclosed