SCHEMBL16203366

SCHEMBL16203366

Cc1ncnc2c1ncn2C1OC(COP(C)(=O)OP(=O)(O)OP(=O)(O)O)C(O)C1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 7/20 0.64
▸ P2RX2 Q9UBL9 6/20 0.64
▸ P2RY1 P47900 5/20 0.64
▸ P2RY2 P41231 4/20 0.64
▸ P2RX1 P51575 3/20 0.64
▸ SRC P12931 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ P2RX4 Q99571 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ TRPM2 O94759 2/20 0.63
▸ DNPH1 O43598 1/20 0.63
▸ PRKAB2 O43741 1/20 0.63
▸ LDHA P00338 1/20 0.63
▸ ADRB2 P07550 1/20 0.63
▸ FBP1 P09467 1/20 0.63
▸ ADORA1 P30542 1/20 0.63
▸ PRKAG1 P54619 1/20 0.63
▸ PRKAA2 P54646 1/20 0.63
▸ PDE4D Q08499 1/20 0.63
▸ KCNH2 Q12809 1/20 0.63

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
SCHEMBL29995120 0.93 P2RY1 (0.74) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL13853911 0.93 P2RY1 (0.74) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL20277564 0.90 P2RX3 (0.62) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL12932262 0.90 P2RY1 (0.79) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL13995541 0.89 DNPH1 (0.77) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL10295499 0.89 P2RY1 (0.71) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL10295496 0.88 P2RY1 (0.67) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL14853898 0.86 P2RY1 (0.73) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL14853916 0.84 P2RY1 (0.64) P2RX3P2RX2P2RY1P2RY2P2RX1
SCHEMBL23711717 0.83 P2RX3 (0.74) P2RX3P2RX2P2RY1P2RY2P2RX1

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
US-20140323354-A1 Chemically Modified Ligase Cofactors, Donors and Acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2014-10-30 — — US disclosed
US-20140323354-A1 Chemically Modified Ligase Cofactors, Donors and Acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2014-10-30 — — US disclosed
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