SCHEMBL7787281

SCHEMBL7787281

O=P(O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.49
P2RX1 P51575 4/20 0.49
P2RX2 Q9UBL9 3/20 0.49
GPR17 Q13304 1/20 0.48
P2RX4 Q99571 6/20 0.47
POLB P06746 1/20 0.46
P2RY1 P47900 4/20 0.46
P2RY2 P41231 3/20 0.46
SRC P12931 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RX7 Q99572 1/20 0.46
P2RY12 Q9H244 1/20 0.46
RNASEL Q05823 1/20 0.45

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
SCHEMBL887094 0.99 P2RX3 (0.50) P2RX3P2RX1P2RX2GPR17P2RX4
SCHEMBL4745859 0.92 DNPH1 (0.48) POLBP2RY1P2RY2SRCALDH1A1
Didanosine SCHEMBL6066346 0.90 ALDH1A1 (0.53) P2RX3P2RX1P2RX2GPR17P2RX4
SCHEMBL23978230 0.89 P2RX3 (0.61) P2RX3P2RX1P2RX2P2RX4POLB
SCHEMBL4969963 0.89 P2RX3 (0.61) P2RX3P2RX1P2RX2P2RX4POLB
SCHEMBL31229395 0.89 P2RX3 (0.61) P2RX3P2RX1P2RX2P2RX4POLB
SCHEMBL13604126 0.88 P2RX3 (0.49) P2RX3P2RX1P2RX2GPR17P2RX4
Dda-Triphosphate SCHEMBL23978346 0.88 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4POLB
SCHEMBL8630966 0.88 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4POLB
Dda-Triphosphate SCHEMBL12932305 0.88 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252060-B1 COMPLEX CONTAINING DIDEOXYGUANOSINE NEXSTAR PHARMACEUTICALS, INC. 2001-06-26 US disclosed
US-5817638-A USING HYBRID NUCLEOSIDES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
EP-0594677-A4 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL INC (US) 1997-09-17 EP disclosed
EP-0594677-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B NeXstar Pharmaceuticals, Inc. (US) 1994-05-04 EP disclosed
WO-1993000910-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL, INC. (US) 1993-01-21 WO disclosed