Bicarbonate

Bicarbonate

SCHEMBL11084509

O=C(O)O.O=c1ccn(C2CC2)c2ccccc12

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
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
HTR6 P50406 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
P2RX4 Q99571 1/20 0.36
GLA P06280 1/20 0.36
TFPI2 P48307 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
DHODH Q02127 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL30292061 0.93 KDM4E (0.43) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL11087997 0.93 KDM4E (0.43) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL29576458 0.79 LOXL2 (0.39) KDM4EMEN1KMT2AHTR3APRKCG
SCHEMBL27415577 0.74 KDM4E (0.43) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL30906940 0.72 MAT2A (0.45) ALDH1A1HTR6DRD2SLC6A4
SCHEMBL15991965 0.72 TOP2A (0.40) GLA
SCHEMBL12486470 0.72 KDM4E (0.69) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL30906932 0.72 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL30906933 0.72 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL3399045 0.72 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1GAA

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
EP-0113091-A1 Microbiocidal agents based on quinolone-carboxylic acids BAYER AG (DE) 1984-07-11 EP claimed