SCHEMBL24059955

SCHEMBL24059955

O=P(O)(O)OCC1O[C@@H](n2cnc3c2ncn2ccnc32)C[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.72
▸ TAS1R1 Q7RTX1 1/20 0.72
▸ P2RX3 P56373 1/20 0.61
▸ P2RX2 Q9UBL9 1/20 0.61
▸ POLB P06746 2/20 0.55
▸ ENPP1 P22413 3/20 0.52
▸ P2RY1 P47900 2/20 0.52
▸ NT5E P21589 1/20 0.52

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
SCHEMBL20266264 1.00 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2POLB
SCHEMBL20282807 1.00 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2POLB
SCHEMBL20673218 1.00 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2POLB
SCHEMBL20277518 1.00 TAS1R3 (0.72) TAS1R3TAS1R1P2RX3P2RX2POLB
SCHEMBL33530157 0.91 P2RX3 (0.74) TAS1R3TAS1R1P2RX3P2RX2POLB
SCHEMBL20673210 0.88 TAS1R3 (0.67) TAS1R3TAS1R1P2RX3P2RX2POLB
SCHEMBL21423035 0.84 HIF1A (0.60) —
SCHEMBL19666769 0.84 HIF1A (0.60) —
SCHEMBL14628598 0.84 HIF1A (0.60) —
SCHEMBL13058825 0.84 HIF1A (0.60) —

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-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 — — US disclosed
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