Bicarbonate

Bicarbonate

SCHEMBL9666014

N=C(N)c1cccc(C[C@](N)(C(=O)NCC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)c1.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 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.49
▸ F2 P00734 5/20 0.48
▸ PLG P00747 5/20 0.48
▸ PROC P04070 1/20 0.47
▸ PLAU P00749 3/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ ST14 Q9Y5Y6 3/20 0.46
▸ HPN P05981 1/20 0.45
▸ HGFAC Q04756 1/20 0.45

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
SCHEMBL8954806 0.92 F10 (0.52) F10F2PLGPROCPLAU
SCHEMBL8954844 0.82 F10 (0.50) F10F2PLGPROCPLAU
SCHEMBL8954760 0.81 F10 (0.48) F10F2PLGPROCPLAU
SCHEMBL8954943 0.81 F10 (0.49) F10F2PLGPROCPLAU
Bicarbonate SCHEMBL9665131 0.80 F10 (0.57) F10F2PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL8954922 0.78 F10 (0.51) F10F2PLGPROCPLAU
SCHEMBL8954706 0.78 F10 (0.52) F10F2PLGPROCPLAU
SCHEMBL8954951 0.77 PLG (0.51) F10F2PLGPROCPLAU
SCHEMBL8954767 0.76 F10 (0.50) F10F2PLGPROCPLAU
SCHEMBL8954880 0.76 F10 (0.52) F10F2PLGPROCPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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