Bicarbonate

Bicarbonate

SCHEMBL28340995

CCOc1cccc2ccccc12.O=C(O)O

nearest known ligand 0.67

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 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
HPGD P15428 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
TSHR P16473 1/20 0.65
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
OGG1 O15527 1/20 0.55
HSD17B10 Q99714 2/20 0.54
MRGPRX4 Q96LA9 1/20 0.54
KCNA3 P22001 1/20 0.53
HTR1B P28222 5/20 0.53
PGR P06401 1/20 0.51
GAA P10253 1/20 0.51
PTGS1 P23219 1/20 0.51
MAPK1 P28482 1/20 0.51
HTR1D P28221 1/20 0.51

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
SCHEMBL45343 0.91 HTR1B (0.61) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL27808393 0.89 HTR1B (0.59) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL27808344 0.89 HTR1B (0.59) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL27464937 0.89 HTR1B (0.59) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL27808490 0.89 HTR1B (0.59) ALDH1A1KDM4EHPGDTDP1TSHR
Toluene SCHEMBL28016412 0.86 KCNA3 (0.53) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL9482954 0.85 HTR1B (0.56) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL29111560 0.81 HTR1B (0.54) TSHRHTR1BHTR1D
SCHEMBL16538476 0.80 CDC25B (0.64) TSHR
SCHEMBL31520212 0.80 TSHR (0.67) ALDH1A1KDM4EHPGDTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865987-A Antitumor compounds 法马马有限公司 2024-04-12 CN disclosed
CN-117820226-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-04-05 CN disclosed
CN-117624045-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-03-01 CN disclosed
CN-117603138-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-02-27 CN disclosed
CN-117425656-A Purine derivatives as anticancer agents 探戈医药股份有限公司 2024-01-19 CN disclosed
CN-117402114-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-01-16 CN disclosed
CN-117412761-A Antibody drug conjugates for delivery of cytotoxic agents using MATE technology 拜奥海芬治疗学有限公司 2024-01-16 CN disclosed
CN-111757735-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2023-09-22 CN disclosed
CN-116761795-A Inhibitors of Transcription Enhancement Associated Domain (TEAD) and uses thereof 达纳-法伯癌症研究所股份有限公司 2023-09-15 CN disclosed
CN-114751920-A Antitumor compounds 法马马有限公司 2022-07-15 CN disclosed
CN-114736219-A Antitumor compounds 法马马有限公司 2022-07-12 CN disclosed
CN-110621678-A Antitumor compounds 法马马有限公司 2019-12-27 CN disclosed