Bicarbonate

Bicarbonate

SCHEMBL2149155

Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1.Cc1ccc(C(=O)c2ccccc2)cc1.O=C(O)O

nearest known ligand 0.57

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 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SRD5A2 P31213 3/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HPGD P15428 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
AKR1C3 P42330 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3288949 0.98 LMNA (0.59) LMNAALDH1A1SRD5A2CES2CES1
Bicarbonate SCHEMBL15643478 0.93 KMT2A (0.54) LMNAALDH1A1SRD5A2CES2CES1
Benzophenone SCHEMBL3324674 0.93 ALDH1A1 (0.58) LMNAALDH1A1SRD5A2CES2CES1
Formic Acid SCHEMBL2149150 0.92 ALDH1A1 (0.52) LMNAALDH1A1SRD5A2CES2CES1
SCHEMBL50648 0.91 KMT2A (0.56) LMNAALDH1A1SRD5A2CES2CES1
Lithium SCHEMBL30994890 0.89 KMT2A (0.54) LMNAALDH1A1SRD5A2CES2CES1
SCHEMBL31220878 0.89 KMT2A (0.54) LMNAALDH1A1SRD5A2CES2CES1
SCHEMBL28867988 0.89 KMT2A (0.54) LMNAALDH1A1SRD5A2CES2CES1
SCHEMBL29227877 0.89 KMT2A (0.54) LMNAALDH1A1SRD5A2CES2CES1
SCHEMBL27640689 0.89 KMT2A (0.54) LMNAALDH1A1SRD5A2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342237-A1 PHOTOINITIATOR MIXTURES BASF SE (DE) 2011-07-13 EP disclosed
WO-2010060702-A1 PHOTOINITIATOR MIXTURES BASF SE (DE) 2010-06-03 WO disclosed