Bicarbonate

Bicarbonate

SCHEMBL27989644

CC(C)CCCCCc1ccccc1-c1ccccc1.O=C(O)O

nearest known ligand 0.49

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
▸ KMT2A Q03164 1/20 0.49
▸ PPARA Q07869 2/20 0.45
▸ FOLH1 Q04609 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ ACLY P53396 1/20 0.41
▸ CYSLTR2 Q9NS75 5/20 0.41
▸ CYSLTR1 Q9Y271 5/20 0.41
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39

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
SCHEMBL27947274 0.94 DPP4 (0.44) KMT2APPARAFOLH1PTGER1PTGER4
Phosphoric Acid SCHEMBL14714940 0.91 KMT2A (0.43) KMT2APPARAFOLH1PTGER1PTGER4
Bicarbonate SCHEMBL27570622 0.87 CYSLTR2 (0.47) PPARACYSLTR2CYSLTR1LTB4RBID
SCHEMBL6527163 0.87 DPP4 (0.47) KMT2APPARAFOLH1PTGER1PTGER4
Bicarbonate SCHEMBL27543186 0.83 PPARA (0.57) PPARACYSLTR2CYSLTR1BIDBCL2L1
Bicarbonate SCHEMBL27513992 0.83 PPARA (0.57) PPARACYSLTR2CYSLTR1BIDBCL2L1
Bicarbonate SCHEMBL1835039 0.83 PPARA (0.57) PPARACYSLTR2CYSLTR1BIDBCL2L1
Bicarbonate SCHEMBL1838555 0.83 PPARA (0.57) PPARACYSLTR2CYSLTR1BIDBCL2L1
Bicarbonate SCHEMBL27594350 0.83 PPARA (0.57) PPARACYSLTR2CYSLTR1BIDBCL2L1
Bicarbonate SCHEMBL1839396 0.83 PPARA (0.57) PPARACYSLTR2CYSLTR1BIDBCL2L1

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
CN-102093684-B Polycarbonate Alloys with highly resistance deformability and improved surface property 科思创德国股份有限公司 2019-04-05 — — CN disclosed
CN-107207846-A The copolycarbonate composition for including double glyceride with improved rheology and optical property 科思创德国股份有限公司 2017-09-26 — — CN disclosed
CN-107207845-A Copolycarbonate compositions comprising PE-waxes with improved processability 科思创德国股份有限公司 2017-09-26 — — CN disclosed
CN-104540890-A Products with improved non-flammability BAYER MATERIALSCIENCE AG 2015-04-22 — — CN disclosed
CN-102101839-B Polycarbonate with improved thermal and mechanical properties and reduced thermal expansion coefficient BAYER MATERIALSCIENCE AG 2014-12-24 — — CN disclosed
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