Bicarbonate

Bicarbonate

SCHEMBL8988879

COC(=O)CCc1ccc(C2=C(OC)CN(c3ccc(C(=N)NC(=O)OC(C)OC(C)=O)cc3)C2=O)cc1.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 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
HDAC1 Q13547 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9564733 0.98 HRH3 (0.32) PTPN1HRH3HDAC1ALDH1A1LMNA
SCHEMBL8988515 0.89 HRH3 (0.36) PTPN1HRH3HDAC1ALDH1A1LMNA
SCHEMBL9564728 0.86 HRH3 (0.33) PTPN1HRH3HDAC1
SCHEMBL8988712 0.86 ALDH1A1 (0.35) PTPN1HRH3HDAC1ALDH1A1LMNA
SCHEMBL9564737 0.85 HRH3 (0.34) PTPN1HRH3HDAC1ALDH1A1LMNA
SCHEMBL8988493 0.83 CYP4F2 (0.38) PTPN1HRH3LMNAL3MBTL1
SCHEMBL9564731 0.83 CASP1 (0.33) PTPN1HRH3HDAC1
Hydrochloric Acid SCHEMBL8988806 0.82 HRH3 (0.36) PTPN1HRH3HDAC1LMNAL3MBTL1
SCHEMBL8988708 0.82 MASP2 (0.32) PTPN1HRH3HDAC1
SCHEMBL8988689 0.81 ITGB3 (0.43) PTPN1HRH3HDAC1

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
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed