Bicarbonate

Bicarbonate

SCHEMBL11113604

O=C(O)O.O=c1c2ccccc2sc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.51

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
PHOSPHO1 Q8TCT1 1/20 0.49
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
KAT2B Q92831 1/20 0.46
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
PSMD14 O00487 1/20 0.44
HTT P42858 1/20 0.44
S100A4 P26447 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PARP1 P09874 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8086574 0.94 CTSV (0.51) PHOSPHO1CTSVCTSLKAT2BMAPT
Ethane SCHEMBL27503799 0.91 CTSV (0.49) PHOSPHO1CTSVCTSLKAT2BMAPT
SCHEMBL3083218 0.86 MAPT (0.55) PHOSPHO1KAT2BMAPTSMN1; SMN2KMT2A
SCHEMBL472542 0.85 KDM4E (0.57) PHOSPHO1CTSVCTSLMAPTSMN1; SMN2
SCHEMBL29724161 0.85 KDM4E (0.57) PHOSPHO1CTSVCTSLMAPTSMN1; SMN2
SCHEMBL17037091 0.80 MAPT (0.49) PHOSPHO1KAT2BMAPTSMN1; SMN2KMT2A
SCHEMBL11634334 0.80 TDP1 (0.47) MAPTSMN1; SMN2KMT2AALDH1A1KDM4E
Bicarbonate SCHEMBL8096275 0.79 KDM4E (0.58) MAPTSMN1; SMN2KMT2AALDH1A1HPGD
Bicarbonate SCHEMBL9809601 0.79 KDM4E (0.58) MAPTSMN1; SMN2KMT2AALDH1A1HPGD
Bicarbonate SCHEMBL9168209 0.79 KDM4E (0.58) MAPTSMN1; SMN2KMT2AALDH1A1HPGD

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-0110833-A1 Use of light-sensitive product mixtures for electroless metal deposition CIBA-GEIGY AG (CH) 1984-06-13 EP disclosed