Doxecitine

Doxecitine

SCHEMBL9674279

Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.O=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.61
P2RY4 P51582 3/20 0.61
P2RY6 Q15077 2/20 0.61
ADRB1 P08588 1/20 0.55
DNMT1 P26358 1/20 0.55
POLB P06746 1/20 0.54
DUT P33316 3/20 0.52
LMNA P02545 4/20 0.52
THRB P10828 1/20 0.52
MTOR P42345 1/20 0.52
MDM2 Q00987 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
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

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
Deoxyuridine SCHEMBL28009651 0.93 P2RY2 (0.55) P2RY2P2RY4P2RY6ADRB1DNMT1
Uridine SCHEMBL18249683 0.92 P2RY2 (0.71) P2RY2P2RY4P2RY6ADRB1DNMT1
Cytidine SCHEMBL574822 0.92 LMNA (0.67) P2RY2P2RY4P2RY6ADRB1DNMT1
Doxecitine SCHEMBL31503186 0.90 DNMT1 (0.66) P2RY2P2RY4P2RY6ADRB1DNMT1
Doxecitine SCHEMBL10238960 0.90 DNMT1 (0.66) P2RY2P2RY4P2RY6ADRB1DNMT1
Doxecitine SCHEMBL23346798 0.90 DNMT1 (0.66) P2RY2P2RY4P2RY6ADRB1DNMT1
Doxecitine SCHEMBL887491 0.90 DNMT1 (0.66) P2RY2P2RY4P2RY6ADRB1DNMT1
Doxecitine SCHEMBL29910618 0.90 DNMT1 (0.66) P2RY2P2RY4P2RY6ADRB1DNMT1
Doxecitine SCHEMBL23178 0.90 DNMT1 (0.66) P2RY2P2RY4P2RY6ADRB1DNMT1
Doxecitine SCHEMBL13700553 0.90 DNMT1 (0.66) P2RY2P2RY4P2RY6ADRB1DNMT1

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-0491739-A1 MULTI-FUNCTIONAL ENZYMES INCLUDING DERIVABLE 2',3'-DIDESOXYRIBOFURANOSIDE TRIPHOSHPATES Havlina, Roxana-Maria (DE) 1992-07-01 EP disclosed
WO-1991004322-A1 MULTI-FUNCTIONAL ENZYMES INCLUDING DERIVABLE 2',3'-DIDESOXYRIBOFURANOSIDE TRIPHOSHPATES VASILOIU ROXANA (DE) 1991-04-04 WO disclosed