Bicarbonate

Bicarbonate

SCHEMBL3255045

CCCC(OC(=O)CC(C)C)OC(=O)NCC1CCCCC1.O=C(O)O

nearest known ligand 0.41

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
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CYP2D6 P10635 1/20 0.36
EPHX1 P07099 3/20 0.35
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Bicarbonate SCHEMBL3253654 0.89 CYP2D6 (0.38) CTSKCTSLCTSBCYP2D6EPHX1
Bicarbonate SCHEMBL3257587 0.88 CYP2D6 (0.38) CTSKCTSLCTSBCYP2D6EPHX1
SCHEMBL916757 0.87 KMT2A (0.44) POLBTDP1
SCHEMBL916759 0.87 KMT2A (0.44) POLBTDP1
Acetic Acid SCHEMBL3818362 0.85 CYP2D6 (0.38) CTSKCTSLCTSBCYP2D6EPHX1
Bicarbonate SCHEMBL3248955 0.85 CTSK (0.40) CTSKCTSLCTSBCYP2D6EPHX1
SCHEMBL7115715 0.85 EPHX1 (0.39) CTSKCTSLCTSBCYP2D6EPHX1
Bicarbonate SCHEMBL3251556 0.85 CYP2D6 (0.39) CTSKCTSLCTSBCYP2D6EPHX1
Acetic Acid SCHEMBL3811675 0.84 CTSK (0.37) CTSKCTSLCTSBCYP2D6EPHX1
Bicarbonate SCHEMBL3255937 0.84 CTSK (0.42) CTSKCTSLCTSBCYP2D6EPHX1

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-1919859-B1 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID AND USE XENOPORT INC (US) 2010-06-02 EP claimed