Choline

Choline

SCHEMBL3307199

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

nearest known ligand 0.87

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 0.87
SLC5A7 Q9GZV3 1/20 0.87
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
LMNA P02545 3/20 0.75
APEX1 P27695 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NFKB1 P19838 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ACHE P22303 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PMP22 Q01453 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
DNM1 Q05193 2/20 0.35
BLM P54132 2/20 0.35
BBOX1 O75936 1/20 0.35
POLB P06746 1/20 0.35

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 SCHEMBL5693169 0.97
Choline SCHEMBL9954387 0.97 CYP3A4 (0.93) CYP3A4SLC5A7MEN1KMT2ALMNA
Choline SCHEMBL10765928 0.97 CYP3A4 (0.93) CYP3A4SLC5A7MEN1KMT2ALMNA
Choline SCHEMBL8740329 0.97 CYP3A4 (0.93) CYP3A4SLC5A7MEN1KMT2ALMNA
Choline SCHEMBL11098179 0.97 CYP3A4 (0.93) CYP3A4SLC5A7MEN1KMT2ALMNA
Choline SCHEMBL326078 0.97
Choline SCHEMBL11228907 0.97
Choline SCHEMBL18074133 0.97 CYP3A4 (0.93) CYP3A4SLC5A7MEN1KMT2ALMNA
Choline SCHEMBL8934710 0.97 CYP3A4 (0.93) CYP3A4SLC5A7MEN1KMT2ALMNA
Choline SCHEMBL4947440 0.97 CYP3A4 (0.93) CYP3A4SLC5A7MEN1KMT2ALMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108070337-A A kind of preparation method of the compound special conducting resinl of LED chip 成都新柯力化工科技有限公司 2018-05-25 CN claimed
EP-1658361-A1 LIQUID DISH CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2006-05-24 EP claimed
WO-2005021698-A1 LIQUID DISH CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2005-03-10 WO claimed
US-20050049161-A1 LIQUID DISH CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY 2005-03-03 US claimed
EP-1485457-A1 ANTIBACTERIAL LIQUID DISH CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2004-12-15 EP claimed
EP-1485455-A1 FOAMSTABLE ANTIMICROBIAL LIQUID DISH CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2004-12-15 EP claimed
EP-1485454-A1 ANTIBACTERIAL LIQUID DISH CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2004-12-15 EP claimed
US-20040101504-A1 Mild antibacterial liquid dish cleaning composition having improved stability COLGATE-PALMOLIVE COMPANY 2004-05-27 US claimed
WO-2003080786-A1 ANTIBACTERIAL LIQUID DISH CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2003-10-02 WO claimed
WO-2003080784-A1 FOAMSTABLE ANTIMICROBIAL LIQUID DISH CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2003-10-02 WO claimed
WO-2003080783-A1 ANTIBACTERIAL LIQUID DISH CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2003-10-02 WO claimed
US-20030144218-A1 Mild antibacterial liquid dish cleaning compositions having improved stability COLGATE-PALMOLIVE COMPANY 2003-07-31 US claimed
US-20030144170-A1 Antibacterial liquid dish cleaning compositions COLGATE-PALMOLIVE COMPANY 2003-07-31 US claimed
US-20020197293-A1 Antibacterial liquid dish cleaning compositions having improved viscosity COLGATE-PALMOLIVE COMPANY 2002-12-26 US claimed
US-20020198130-A1 Antibacterial liquid dish cleaning compositions COLGATE-PALMOLIVE COMPANY 2002-12-26 US claimed
WO-2002092743-A1 ANTIBACTERIAL LIQUID DISH CLEANING COMPOSITIONS HAVING IMPROVED VISCOSITY COLGATE-PALMOLIVE COMPANY (US) 2002-11-21 WO claimed
CN-116251137-B Method for extracting flavonoid compounds from caulis spatholobi 北京农学院 2024-01-30 CN disclosed
CN-116251137-A Method for extracting flavonoid compounds from caulis spatholobi 北京农学院 2023-06-13 CN disclosed
EP-1658361-A1 LIQUID DISH CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2006-05-24 EP disclosed
WO-2005021698-A1 LIQUID DISH CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2005-03-10 WO disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20020197293-A1 Antibacterial liquid dish cleaning compositions having improved viscosity ERG28, CXCL8, EBP CYP3A4 3969/4885SLC5A7 313/4885MEN1 4138/4885
US-20040101504-A1 Mild antibacterial liquid dish cleaning composition having improved stability UGT8, SPOUT1, ERG28 CYP3A4 3951/4885SLC5A7 778/4885MEN1 3315/4885
US-20030144218-A1 Mild antibacterial liquid dish cleaning compositions having improved stability UGT8, SPOUT1, ERG28 CYP3A4 4035/4885SLC5A7 703/4885MEN1 3372/4885

“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.