Lithium Ion

Lithium Ion

SCHEMBL9003373

CCCC[B-](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Li+]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. 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
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
DPP4 P27487 1/20 0.34
IDO1 P14902 2/20 0.32
RIPK1 Q13546 1/20 0.32
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 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
SCHEMBL9003413 0.98 GABRA2 (0.36) GABRA2GABRB2CYP3A4MAPK1MAPT
SCHEMBL8757368 0.87 GABRA2 (0.32) GABRA2GABRB2CYP3A4MAPK1MAPT
SCHEMBL5898308 0.79 LMNA (0.41) CYP3A4MAPK1IDO1ALDH1A1TSHR
SCHEMBL6715464 0.78 TLR8 (0.42) GABRA2GABRB2MAPK1MAPTCTSS
Tetramethylammonium Ion SCHEMBL1130664 0.75 TLR8 (0.40) GABRA2GABRB2MAPK1MAPTCTSS
SCHEMBL26287035 0.75 TLR8 (0.40) CYP3A4MAPTCTSSCTSKALDH1A1
Biphenyl SCHEMBL7785983 0.73 TLR8 (0.41) CYP3A4MAPTCTSSCTSKTSHR
Tetrabuthylammonium SCHEMBL1130718 0.73 TLR8 (0.39) GABRA2GABRB2CTSSCTSKALDH1A1
Butylamine SCHEMBL628202 0.73 CYP3A4 (0.36) GABRA2GABRB2CYP3A4MAPK1MAPT
SCHEMBL26287046 0.72 NFE2L2 (0.40) MAPTCTSSCTSKALDH1A1TDP1

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed