Choline

Choline

SCHEMBL3775409

C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.O.O.O=C([O-])C(=O)[O-].[Cl-]

nearest known ligand 0.65

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
CYP3A4 P08684 1/20 0.65
SLC5A7 Q9GZV3 1/20 0.65
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GALR3 O60755 1/20 0.39
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
BLM P54132 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
ACHE P22303 1/20 0.36
APEX1 P27695 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ADRA2A P08913 1/20 0.34

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 SCHEMBL31575663 0.95 LMNA (0.63) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL1052170 0.95 LMNA (0.63) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL3789466 0.92 LMNA (0.60) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL3789470 0.92 LMNA (0.60) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL3789465 0.92 LMNA (0.60) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28408316 0.87 LMNA (0.60) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL119824 0.87 LMNA (0.67) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL3788610 0.85 LMNA (0.57) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL6706932 0.85 MEN1 (0.57) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL3458973 0.85 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554576-B Composite material based on in-situ lignin regeneration and preparation method and application thereof 山东理工大学 2024-04-12 CN claimed
CN-116554576-A Composite material based on in-situ lignin regeneration and preparation method and application thereof 山东理工大学 2023-08-08 CN claimed
CN-116554576-B Composite material based on in-situ lignin regeneration and preparation method and application thereof 山东理工大学 2024-04-12 CN disclosed
CN-116554576-B Composite material based on in-situ lignin regeneration and preparation method and application thereof 山东理工大学 2024-04-12 CN disclosed
CN-116554576-A Composite material based on in-situ lignin regeneration and preparation method and application thereof 山东理工大学 2023-08-08 CN disclosed
CN-116554576-A Composite material based on in-situ lignin regeneration and preparation method and application thereof 山东理工大学 2023-08-08 CN disclosed
CN-115160450-B Rapid preparation method and application of Pholiota nameko polysaccharide 山西农业大学 2023-04-18 CN disclosed
CN-115160450-A Rapid preparation method and application of Pholiota nameko polysaccharide 山西农业大学 2022-10-11 CN disclosed
US-8303845-B2 Porous phosphor, manufacturing method of the porous phosphor, and lighting device coated with the porous phosphor NATIONAL TSING HUA UNIVERSITY (TW) 2012-11-06 US disclosed
US-20100314992-A1 Porous phosphor, manufacturing method of the porous phosphor, and lighting device coated with the porous phosphor NATIONAL TSING HUA UNIVERSITY (TW) 2010-12-16 US disclosed