Bicarbonate

Bicarbonate

SCHEMBL10970799

Cn1c(=O)ccc2ccccc21.O=C(O)O

nearest known ligand 0.85

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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 18)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 5/20 0.85
BRD4 O60885 3/20 0.85
BRD9 Q9H8M2 3/20 0.85
CA12 O43570 2/20 0.85
CA9 Q16790 2/20 0.85
KAT2B Q92831 1/20 0.85
MCL1 Q07820 1/20 0.53
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
DAO P14920 1/20 0.49
BRD1 O95696 2/20 0.47
BRPF3 Q9ULD4 1/20 0.47
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NQO2 P16083 1/20 0.42
SLC9A1 P19634 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
SCHEMBL248619 0.92 BRPF1 (1.00) BRPF1BRD4BRD9CA12CA9
SCHEMBL29967380 0.92 BRPF1 (1.00) BRPF1BRD4BRD9CA12CA9
Hydrochloric Acid SCHEMBL30419636 0.90 BRPF1 (0.96) BRPF1BRD4BRD9CA12CA9
Hydrochloric Acid SCHEMBL1236989 0.90 BRPF1 (0.96) BRPF1BRD4BRD9CA12CA9
Hydrochloric Acid SCHEMBL7218030 0.88 BRPF1 (0.92) BRPF1BRD4BRD9CA12CA9
Pyridine SCHEMBL11505119 0.84 BRPF1 (0.76) BRPF1BRD4BRD9CA12CA9
SCHEMBL271495 0.75 CA12 (0.63) BRPF1BRD4BRD9CA12CA9
SCHEMBL6581393 0.74 CA12 (0.52) BRPF1BRD4BRD9CA12CA9
SCHEMBL26555542 0.74 BRPF1 (0.68) BRPF1BRD4BRD9CA12CA9
SCHEMBL31743122 0.74 BRPF1 (0.61) BRPF1BRD4BRD9CA12CA9

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
EP-0073507-B1 SULFONYL UREAS, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-16 EP disclosed