SCHEMBL20673210

SCHEMBL20673210

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)CC1CO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.67
▸ TAS1R1 Q7RTX1 2/20 0.67
▸ P2RX3 P56373 1/20 0.57
▸ P2RX2 Q9UBL9 1/20 0.57
▸ TK1 P04183 1/20 0.48
▸ P2RY1 P47900 3/20 0.45
▸ POLB P06746 1/20 0.43
▸ DNPH1 O43598 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ P2RY2 P41231 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL24059955 0.88 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL20277518 0.88 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL20266264 0.88 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL20673218 0.88 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL20282807 0.88 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL33530157 0.80 P2RX3 (0.74) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL20277494 0.80 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL20282630 0.80 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL20277542 0.80 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2P2RY1
SCHEMBL20266301 0.80 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 — — US disclosed
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