Emtricitabine

Emtricitabine

SCHEMBL22413085

Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F.Nc1nc(=O)n([C@H]2CS[C@@H](CO)O2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

pol

The experimentally established mechanism targets of Emtricitabine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 1.00
POLG P54098 2/20 0.64
LMNA P02545 3/20 0.63
CACNA1F O60840 2/20 0.63
MAPT P10636 2/20 0.63
CACNA1D Q01668 2/20 0.63
CACNA1S Q13698 2/20 0.63
CACNA1C Q13936 2/20 0.63
PDE3A Q14432 2/20 0.63
DCK P27707 7/20 0.36
DNMT1 P26358 5/20 0.36
ADRB1 P08588 1/20 0.36
DNMT3B Q9UBC3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Emtricitabine, (+/-)- SCHEMBL122131 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL267686 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL3230512 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL12202574 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL6903677 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL5427218 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL6362885 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL3722124 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL39708 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL12662838 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4114409-A1 NRTIS, NRTI METABOLITES, AND NRTI ANALOGS FOR MACULAR DEGENERATION AND VIRAL INFECTIONS University of Virginia Patent Foundation (US) 2023-01-11 EP disclosed
EP-3927710-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE University of Virginia Patent Foundation (US) 2021-12-29 EP disclosed
WO-2021188910-A1 NRTIS, NRTI METABOLITES, AND NRTI ANALOGS FOR MACULAR DEGENERATION AND VIRAL INFECTIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-09-23 WO disclosed
WO-2020185676-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-09-17 WO disclosed