Troxacitabine

Troxacitabine

SCHEMBL7560355

Nc1ccn([C@H]2CO[C@@H](CO)O2)c(=O)n1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

POLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PRIM1PRIM2

The experimentally established mechanism targets of Troxacitabine. 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
POLA1 known ✓ P09884 1/20 0.39
POLG P54098 3/20 0.59
POLB P06746 1/20 0.52
LMNA P02545 3/20 0.50
PDE3A Q14432 3/20 0.50
CACNA1F O60840 2/20 0.50
ALB P02768 2/20 0.50
MAPT P10636 2/20 0.50
CACNA1D Q01668 2/20 0.50
CACNA1S Q13698 2/20 0.50
CACNA1C Q13936 2/20 0.50
P2RY2 P41231 5/20 0.45
P2RY4 P51582 3/20 0.45
P2RY6 Q15077 2/20 0.45
THRB P10828 1/20 0.44
MTOR P42345 1/20 0.44
MDM2 Q00987 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PDE4D Q08499 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
Troxacitabine SCHEMBL17542009 0.91 LMNA (0.56) POLGPOLBLMNAPDE3ACACNA1F
Troxacitabine SCHEMBL30317744 0.89 LMNA (0.60) POLGPOLBLMNAPDE3ACACNA1F
Troxacitabine SCHEMBL6424800 0.89 LMNA (0.60) POLGPOLBLMNAPDE3ACACNA1F
Troxacitabine SCHEMBL1653267 0.89 LMNA (0.60) POLGPOLBLMNAPDE3ACACNA1F
Troxacitabine SCHEMBL1026150 0.89 LMNA (0.60) POLGPOLBLMNAPDE3ACACNA1F
Troxacitabine SCHEMBL18548 0.89 LMNA (0.60) POLGPOLBLMNAPDE3ACACNA1F
Troxacitabine SCHEMBL1844439 0.89 LMNA (0.60) POLGPOLBLMNAPDE3ACACNA1F
Troxacitabine SCHEMBL1026148 0.89 LMNA (0.60) POLGPOLBLMNAPDE3ACACNA1F
Troxacitabine SCHEMBL22285889 0.88 LMNA (0.59) POLGPOLBLMNAPDE3ACACNA1F
Zalcitabine SCHEMBL6066360 0.82 POLG (0.65) POLGPOLBLMNAPDE3ACACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225899-A2 METHOD FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTION USING NUCLEOSIDE ANALOGUES Virochem Pharma Inc. (CA) 2002-07-31 EP disclosed
WO-2001032153-A2 METHOD FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTION USING NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2001-05-10 WO disclosed