Bicarbonate

Bicarbonate

SCHEMBL29992844

Cc1c(Br)cccc1OCCCBr.O=C([O-])[O-].[K+].[K+]

nearest known ligand 0.39

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
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PPARG P37231 2/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL29648252 0.89 HTR7 (0.43) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL18728167 0.89 HTR7 (0.43) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL26636424 0.84 HTR7 (0.42) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL26636905 0.81 HTR7 (0.44) SMN1; SMN2MAPTL3MBTL1RAB9ANPC1
SCHEMBL22807537 0.80 MAPT (0.39) SMN1; SMN2MAPTL3MBTL1RAB9ANPC1
SCHEMBL26639498 0.78 PPARG (0.49) SMN1; SMN2MEN1KMT2APPARGPPARD
SCHEMBL30734673 0.77 PPARG (0.51) SMN1; SMN2MEN1KMT2APPARGPPARA
SCHEMBL26635776 0.77 CYP4F2 (0.45) PPARGALDH1A1TDP1
SCHEMBL30734588 0.77 CYP4F2 (0.45) PPARGALDH1A1TDP1
SCHEMBL26639555 0.77 PPARG (0.51) SMN1; SMN2MEN1KMT2APPARGPPARA

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-4037776-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2022-08-10 — — EP disclosed
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