Choline

Choline

SCHEMBL3309233

C[N+](C)(C)CCO.OCC(O)CO.[I-]

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2

The experimentally established mechanism targets of Choline. 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
LMNA P02545 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP3A4 P08684 1/20 0.60
SLC5A7 Q9GZV3 1/20 0.60
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PSMD14 O00487 2/20 0.38
PLA2G1B P04054 2/20 0.38
MMP2 P08253 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
HSP90AA1 P07900 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC22A16 Q86VW1 1/20 0.34
RAD52 P43351 1/20 0.34
NFKB1 P19838 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ACHE P22303 1/20 0.30
APEX1 P27695 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
Choline SCHEMBL7169119 0.97 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL4207428 0.95 LMNA (0.68) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL3304484 0.95 CYP3A4 (0.68) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL28224033 0.95 LMNA (0.60) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL29002744 0.95 LMNA (0.60) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL28214932 0.92 CYP3A4 (0.65) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL28247967 0.92 CYP3A4 (0.65) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL22418373 0.92 CYP3A4 (0.65) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL28465207 0.88 CYP3A4 (0.59) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL21693630 0.86 LMNA (0.50) LMNAMEN1KMT2ACYP3A4SLC5A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101826396-B Electrolyte composition and dye-sensitized solar battery using same TRIPOD WUXI ELECTRONIC CO LTD 2012-07-11 CN disclosed
CN-101826396-A Electrolyte composition and dye-sensitized solar battery using same TRIPOD TECH WUXI ELECTRONICS LTD 2010-09-08 CN disclosed
US-20100101644-A1 ELECTROLYTE COMPOSITION AND DYE-SENSITIZED SOLAR CELL (DSSC) COMPRISING THE SAME TRIPOD TECHNOLOGY CORPORATION (TW) 2010-04-29 US disclosed