Bicarbonate

Bicarbonate

SCHEMBL28613286

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

nearest known ligand 0.33

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 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
TSHR P16473 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
Pivalate SCHEMBL29039967 0.93 TSHR (0.32) ALDH1A1TSHR
SCHEMBL75111 0.89 ALDH1A1 (0.41) ALDH1A1TSHR
Tert-Butyl Hydroperoxide SCHEMBL7633137 0.83 ALDH1A1 (0.53) ALDH1A1TSHR
Bicarbonate SCHEMBL26105671 0.76 TSHR (0.41) ALDH1A1POLBHMGCRCHRM1TBXA2R
SCHEMBL8983691 0.76 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL27364953 0.76 POLB (0.32) ALDH1A1POLBGAAHMGCRCHRM1
Bicarbonate SCHEMBL16738136 0.76 TSHR (0.42) ALDH1A1GAAHMGCRCHRM1TBXA2R
SCHEMBL7360362 0.74 GAA (0.31) GAA
Water SCHEMBL28429694 0.74 POLB (0.31) ALDH1A1POLBGAAHMGCRCHRM1
Tert-Butyl Hydroperoxide SCHEMBL25265357 0.72 ALDH1A1 (0.45) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105717747-B Photosensitive resin composition and application thereof 奇美实业股份有限公司 2021-12-21 CN disclosed
CN-105717743-B Photosensitive resin composition and application thereof 奇美实业股份有限公司 2021-12-21 CN disclosed
CN-113302734-A Curable composition and cured product 可舒磨润滑油株式会社 2021-08-24 CN disclosed
CN-110663085-B Solid electrolyte composition, solid electrolyte-containing sheet, all-solid-state secondary battery, and method for producing solid electrolyte-containing sheet and all-solid-state secondary battery 富士胶片株式会社 2021-04-20 CN disclosed
CN-111848846-A Preparation method and application of vinyl chloride polymer 安徽华塑股份有限公司 2020-10-30 CN disclosed
CN-110663085-A Solid electrolyte composition, solid electrolyte-containing sheet, all-solid-state secondary battery, and method for producing solid electrolyte-containing sheet and all-solid-state secondary battery 富士胶片株式会社 2020-01-07 CN disclosed