Bicarbonate

Bicarbonate

SCHEMBL2909437

CCC(C1CC(C)(C)NC(C)(C)C1)C(C1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.O=C(O)O

nearest known ligand 0.38

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 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6902207 0.92
SCHEMBL2156622 0.87 TDP1 (0.37) HTT
SCHEMBL10612665 0.74 GAA (0.39) GAA
SCHEMBL11862121 0.73 HTT (0.37) HTTGAAPOLBKMT2AMEN1
SCHEMBL11153958 0.72 GPR84 (0.33) MAPT
SCHEMBL9466742 0.71 HTT (0.34) HTTGAAPOLBKMT2AKDM4E
Acetic Acid SCHEMBL16713425 0.68 GAA (0.38) HTTGAAPOLBKMT2ARECQL
SCHEMBL14695653 0.68 TDP1 (0.35) TSHR
SCHEMBL1311884 0.68 TDP1 (0.37) HTTGAAPOLB
SCHEMBL12646464 0.68 TSHR (0.33) HTTGAAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964189-B1 COLOR TUNABLE LIGHT-EMITTING DEVICES AND METHOD OF MAKING THE SAME GEN ELECTRIC (US) 2010-08-18 EP disclosed
EP-1964189-A1 COLOR TUNABLE LIGHT-EMITTING DEVICES AND METHOD OF MAKING THE SAME General Electric Company (US) 2008-09-03 EP disclosed
WO-2007070162-A1 COLOR TUNABLE LIGHT-EMITTING DEVICES AND METHOD OF MAKING THE SAME GENERAL ELECTRIC COMPANY (US) 2007-06-21 WO disclosed
US-20070131949-A1 Color tunable light-emitting devices and method of making the same GENERAL ELECTRIC COMPANY (US) 2007-06-14 US disclosed
US-20070132371-A1 Color tunable light-emitting devices and method of making the same GENERAL ELECTRIC COMPANY (US) 2007-06-14 US disclosed
US-5431697-A Reversibly variable color patterning composition for synthetic resin articles MATSUI SHIKISO CHEMICAL CO., LTD. (JP) 1995-07-11 US disclosed
US-5221288-A Treating cellulose fiber textile product with cationic compound, immersing in dispersion of microencapsulated thermochromic or photochromic material MATSUI SHIKISO CHEMICAL CO., LTD. (JP) 1993-06-22 US disclosed
EP-0480162-A1 Dyeing method and dyed product MATSUI SHIKISO CHEMICAL CO., LTD (JP) 1992-04-15 EP disclosed