Bicarbonate

Bicarbonate

SCHEMBL4820941

CC1c2ccccc2-c2ccccc21.O=C(O)O

nearest known ligand 0.52

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
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
POLB P06746 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
GPR3 P46089 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42

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
Acetone SCHEMBL8469766 0.91 POLB (0.55) HTR7HTR2BPOLBHDAC3HDAC4
SCHEMBL40599 0.87 GPR3 (0.52) HTR7HTR2BPOLBHDAC3HDAC4
SCHEMBL29641604 0.87 GPR3 (0.52) HTR7HTR2BPOLBHDAC3HDAC4
SCHEMBL7825562 0.81 HTR7 (0.62) HTR7HTR2BPOLBKMT2AMEN1
SCHEMBL26119869 0.81 TTR (0.51) HTR7HTR2BPOLBKMT2AMAPT
SCHEMBL30571871 0.81 HTR7 (0.62) HTR7HTR2BPOLBKMT2AMEN1
SCHEMBL6901219 0.78 CDC25B (0.52) HTR7HTR2BPOLBNCOR2KMT2A
SCHEMBL30045412 0.78 HTR7 (0.40) HTR7HTR2BPOLBHDAC3HDAC4
SCHEMBL3680763 0.77 HTR7 (0.48) HTR7HTR2BPOLBTSHRMAPT
SCHEMBL3233540 0.77 POLB (0.39) HTR7HTR2BPOLBHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429601-B2 Esters of hydroxyl-substituted nitrogen heterocycles, processes for the preparation thereof as well as the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG, (DE) 2008-09-30 US disclosed
US-7094788-B2 Esters of hydroxyl-substituted nitrogen heterocycles, processes for the preparation thereof as well as the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-22 US disclosed
US-20060058344-A1 Esters of hydroxyl-substituted nitrogen heterocycles, processes for the preparation thereof as well as the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-16 US disclosed
US-20030199545-A1 New esters of hydroxyl-substituted nitrogen heterocycles, processes for the preparation thereof as well as the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030199545-A1 New esters of hydroxyl-substituted nitrogen heterocycles, processes for the preparation thereof as well as the use thereof as pharmaceutical compositions CYP4B1, CYP3A4, CYP4A11 HTR7 747/4885HTR2B 359/4885POLB 3606/4885
US-20060058344-A1 Esters of hydroxyl-substituted nitrogen heterocycles, processes for the preparation thereof as well as the use thereof as pharmaceutical compositions CYP4B1, CYP2C19, CYP4A11 HTR7 562/4885HTR2B 200/4885POLB 3227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.