Bicarbonate

Bicarbonate

SCHEMBL18351663

CSCC[C@H](NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)O.O=C(O)O

nearest known ligand 0.67

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
MARS1 P56192 4/20 0.67
NSD2 O96028 5/20 0.62
CARM1 Q86X55 4/20 0.62
SETD7 Q8WTS6 4/20 0.62
PRMT1 Q99873 3/20 0.62
SETD2 Q9BYW2 2/20 0.62
DOT1L Q8TEK3 5/20 0.61
EHMT2 Q96KQ7 3/20 0.61
NNMT P40261 3/20 0.61
PRMT5 O14744 3/20 0.61
AHCY P23526 2/20 0.61
TRDMT1 O14717 2/20 0.61
INMT O95050 2/20 0.61
METTL3 Q86U44 2/20 0.61
EHMT1 Q9H9B1 2/20 0.61
METTL14 Q9HCE5 2/20 0.61
WDR77 Q9BQA1 2/20 0.61
PRMT7 Q9NVM4 2/20 0.61
FASN P49327 2/20 0.61
SUV39H1 O43463 1/20 0.61

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
SCHEMBL21053165 0.99 MARS1 (0.68) MARS1NSD2CARM1SETD7PRMT1
SCHEMBL29352263 0.99 MARS1 (0.68) MARS1NSD2CARM1SETD7PRMT1
SCHEMBL215732 0.99 MARS1 (0.68) MARS1NSD2CARM1SETD7PRMT1
Hydrogen Sulfide SCHEMBL28823955 0.98 MARS1 (0.67) MARS1NSD2CARM1SETD7PRMT1
Succinic Acid SCHEMBL31363215 0.96 MARS1 (0.64) MARS1NSD2CARM1SETD7PRMT1
Sulfuric Acid SCHEMBL636869 0.96 MARS1 (0.64) MARS1NSD2CARM1SETD7PRMT1
Succinic Acid SCHEMBL28733072 0.96 MARS1 (0.64) MARS1NSD2CARM1SETD7PRMT1
Succinic Acid SCHEMBL636286 0.96 MARS1 (0.64) MARS1NSD2CARM1SETD7PRMT1
Sulfuric Acid SCHEMBL5613159 0.96 MARS1 (0.64) MARS1NSD2CARM1SETD7PRMT1
Sulfuric Acid SCHEMBL27680964 0.96 MARS1 (0.64) MARS1NSD2CARM1SETD7PRMT1

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
US-9534010-B2 Stable indole-3-propionate salts of S-adenosyl-L-methionine HEBERT SAM-E LLC 2017-01-03 US claimed