SCHEMBL888027

SCHEMBL888027

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C(O)C1O.[NaH]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 10/20 0.77
P2RY1 P47900 4/20 0.77
TAS1R3 Q7RTX0 3/20 0.77
TAS1R1 Q7RTX1 3/20 0.77
P2RY2 P41231 3/20 0.77
SRC P12931 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
PRKAB2 O43741 1/20 0.77
TRPM2 O94759 1/20 0.77
LDHA P00338 1/20 0.77
ADRB2 P07550 1/20 0.77
FBP1 P09467 1/20 0.77
ADORA1 P30542 1/20 0.77
PRKAG1 P54619 1/20 0.77
PRKAA2 P54646 1/20 0.77
PDE4D Q08499 1/20 0.77
KCNH2 Q12809 1/20 0.77
PRKAA1 Q13131 1/20 0.77
PDE3A Q14432 1/20 0.77
P2RY11 Q96G91 1/20 0.77

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
SCHEMBL25168104 1.00 DNPH1 (0.77) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL17542057 1.00 DNPH1 (0.77) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL11645423 0.99 DNPH1 (0.79) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL16141757 0.99 DNPH1 (0.79) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL161318 0.99 DNPH1 (0.79) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL24145247 0.99 DNPH1 (0.79) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL19255 0.99 DNPH1 (0.79) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL25168081 0.99 DNPH1 (0.79) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL29775236 0.99 DNPH1 (0.79) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL29358651 0.99 DNPH1 (0.79) DNPH1P2RY1TAS1R3TAS1R1P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3017554-A None JP disclosed
US-20110287158-A1 BODY TASTE IMPROVER COMPRISING LONG-CHAIN HIGHLY UNSATURATED FATTY ACID AND/OR ESTER THEREOF AND VEGETABLE FAT COMPOSITION CONTAINING THE SAME J-OIL MILLS, INC. (JP) 2011-11-24 US disclosed
US-20060051484-A1 Body taste improver comprising long-chain highly unsaturated fatty acid and/or ester thereof and vegetable fat composition containing the same J-OIL MILLS, INC. (JP) 2006-03-09 US disclosed
US-20060005742-A1 Pearl essence-analogous pearlescent pigments prepared by enzymatic reaction MERCK PATENT GMBH (DE) 2006-01-12 US disclosed
CN-1611260-A Combined medicine of adefovir dipivoxil YANG XIHONG (CN) 2005-05-04 CN disclosed
EP-1504677-A1 BODY TASTE IMPROVER COMPRISING LONG-CHAIN HIGHLY UNSATURATED FATTY ACID AND/OR ESTER THEREOF AND VEGETABLE FAT COMPOSITION CONTAINING THE SAME J-Oil Mills, Inc. (JP) 2005-02-09 EP disclosed
JP-H0317554-A DETECTING SYSTEM OF TASTE AND ADJUSTING METHOD THEREOF OMRON CORP 1991-01-25 JP disclosed