Bicarbonate

Bicarbonate

SCHEMBL11209083

Nc1ccc(NC(=O)c2ccc(N)cc2)cc1.O=C(O)O

nearest known ligand 0.92

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
POLB P06746 3/20 0.92
MEN1 O00255 2/20 0.92
KMT2A Q03164 2/20 0.92
LMNA P02545 1/20 0.92
PKM P14618 1/20 0.92
APEX1 P27695 1/20 0.92
TDP1 Q9NUW8 1/20 0.92
PTGS1 P23219 2/20 0.71
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA9 Q16790 1/20 0.69
MAPT P10636 2/20 0.67
PRMT1 Q99873 3/20 0.65
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
SNCA P37840 1/20 0.62
SETD7 Q8WTS6 1/20 0.62

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
SCHEMBL2128727 0.96 POLB (1.00) POLBMEN1KMT2ALMNAPKM
SCHEMBL30319980 0.96 POLB (1.00) POLBMEN1KMT2ALMNAPKM
SCHEMBL137276 0.96 POLB (1.00) POLBMEN1KMT2ALMNAPKM
SCHEMBL9681496 0.96 POLB (1.00) POLBMEN1KMT2ALMNAPKM
SCHEMBL1353478 0.96 POLB (1.00) POLBMEN1KMT2ALMNAPKM
Hydrochloric Acid SCHEMBL8640632 0.94 POLB (0.96) POLBMEN1KMT2ALMNAPKM
SCHEMBL8442129 0.94 POLB (0.96) POLBMEN1KMT2ALMNAPKM
SCHEMBL22440686 0.92 POLB (0.85) POLBMEN1KMT2ALMNAPKM
SCHEMBL17795755 0.92 POLB (0.85) POLBMEN1KMT2ALMNAPKM
SCHEMBL3277058 0.92 POLB (0.85) POLBMEN1KMT2ALMNAPKM

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-0038453-B1 PROCESS FOR THE PREPARATION OF WATER SOLUBLE PHTHALOCYANINE DYESTUFFS BAYER AG (DE) 1983-05-25 EP disclosed
EP-0038453-A2 Process for the preparation of water soluble phthalocyanine dyestuffs BAYER AG (DE) 1981-10-28 EP disclosed