Bicarbonate

Bicarbonate

SCHEMBL4353698

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

nearest known ligand 0.44

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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
ALDH1A1 P00352 5/20 0.44
FFAR3 O14843 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
TSHR P16473 2/20 0.35
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 2/20 0.30
SLC15A2 Q16348 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL168758 0.87
SCHEMBL1900319 0.87
SCHEMBL23613 0.87
SCHEMBL669050 0.87
SCHEMBL27744522 0.84
Ammonia Solution, Strong SCHEMBL28904849 0.83
SCHEMBL27496697 0.83
Water SCHEMBL28122586 0.83
Carbon Dioxide SCHEMBL27523988 0.81
SCHEMBL29004104 0.80 ALDH1A1 (0.33) ALDH1A1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279548-B1 Substituted 1,3,4,9-tetrahydropyrano [3,4-b] indole-1-acetic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1992-08-19 EP claimed
US-8574771-B2 Rechargeable lithium battery SAMSUNG SDI CO., LTD. (KR) 2013-11-05 US disclosed
US-7494746-B2 Electrolyte for rechargeable lithium battery, and rechargeable lithium battery including same SAMSUNG SDI CO., LTD. (KR) 2009-02-24 US disclosed
US-20080118843-A1 Electrolyte for rechargeable lithium battery, and rechargeable lithium battery including same SAMSUNG SDI CO., LTD., A CORPORATION ORGANIZED UNDER THE LAWS OF THE REPUBLIC OF KOREA (KR) 2008-05-22 US disclosed
US-20070154810-A1 Rechargeable lithium battery SAMSUNG SDI CO., LTD. (KR) 2007-07-05 US disclosed