Choline

Choline

SCHEMBL540807

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

nearest known ligand 0.67

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 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CYP3A4 P08684 1/20 0.63
SLC5A7 Q9GZV3 1/20 0.63
ACHE P22303 1/20 0.44
CHRM5 P08912 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRM3 P20309 4/20 0.42
CHRM2 P08172 3/20 0.42
CHRM4 P08173 3/20 0.42
CYP2C19 P33261 3/20 0.42
HTR1A P08908 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
PGR P06401 1/20 0.42
TBXA2R P21731 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42

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 SCHEMBL28267072 1.00 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL27844339 0.97 LMNA (0.60) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL3345299 0.86 LMNA (0.60) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL2520407 0.86 LMNA (0.60) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL8893418 0.86 LMNA (0.67) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL28115742 0.86 CYP3A4 (0.77) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL2162751 0.85 LMNA (0.52) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL8056351 0.85
Choline SCHEMBL6706932 0.84 MEN1 (0.57) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL1302619 0.84 LMNA (0.57) 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 253 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596134-B1 DEEP EUTECTIC SOLVENT COMPOSITIONS SHPP GLOBAL TECH BV (NL) 2023-10-18 EP claimed
US-11530317-B2 Deep eutectic solvent compositions SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2022-12-20 US claimed
CN-113358528-B Method for detecting acetylcholinesterase and inhibitor thereof based on pendant drop method 山东大学 2022-06-17 CN claimed
CN-111384360-B Metal ion battery 财团法人工业技术研究院 2022-02-22 CN claimed
CN-111384432-B Metal ion battery 财团法人工业技术研究院 2022-02-01 CN claimed
CN-113358528-A Method for detecting acetylcholinesterase and inhibitor thereof based on pendant drop method 山东大学 2021-09-07 CN claimed
US-11071795-B2 Indicating devices based on etching of metals JP LABORATORIES INC. (US) 2021-07-27 US claimed
CN-112961027-A Insoluble copper complex catalyst for catalyzing hydrochlorination of acetylene and preparation method and application thereof 石河子大学 2021-06-15 CN claimed
CN-107799724-B Electrode, method for manufacturing same, and metal-ion battery comprising same 财团法人工业技术研究院 2020-10-23 CN claimed
CN-111675640-A Method for separating and preparing high-purity zeaxanthin 中国科学院兰州化学物理研究所 2020-09-18 CN claimed
EP-2136636-B1 PEST ATTRACTANT ACTIVETRAD PROPRIETARY LTD (ZA) 2011-11-02 EP claimed
US-20100119473-A1 INSECT ATTRACTANT ACTIVETRAD (PROPRIETARY) LIMITED (ZA) 2010-05-13 US claimed
EP-2136636-A1 PEST ATTRACTANT Activetrad (Proprietary) Limited (ZA) 2009-12-30 EP claimed
EP-1317294-B2 ABSORBABLE ADHESIVE COMPOSITIONS CLOSURE MEDICAL CORP (US) 2009-09-02 EP claimed
WO-2008110984-A1 PEST ATTRACTANT ACTIVETRAD (PROPRIETARY) LIMITED (ZA) 2008-09-18 WO claimed
EP-1317294-B1 ABSORBABLE ADHESIVE COMPOSITIONS CLOSURE MEDICAL CORP (US) 2005-03-16 EP claimed
US-6620846-B1 Containing biocompatible alkyl ester cyanoacrylate monomer and quaternary amine polymerization initiator CLOSURE MEDICAL CORPORATION 2003-09-16 US claimed
EP-1317294-A1 ABSORBABLE ADHESIVE COMPOSITIONS Closure Medical Corporation (US) 2003-06-11 EP claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
WO-2002009785-A1 ABSORBABLE ADHESIVE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2002-02-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11530317-B2 Deep eutectic solvent compositions YAP1, MYB, PRDX6 LMNA 4565/4885MEN1 4529/4885KMT2A 2394/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.