Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4362929

N.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.67
DNPH1 O43598 4/20 0.65
TAS1R3 Q7RTX0 3/20 0.65
TAS1R1 Q7RTX1 3/20 0.65
P2RY1 P47900 3/20 0.65
P2RY11 Q96G91 3/20 0.65
PRKAB2 O43741 1/20 0.65
TRPM2 O94759 1/20 0.65
LDHA P00338 1/20 0.65
ADRB2 P07550 1/20 0.65
FBP1 P09467 1/20 0.65
SRC P12931 1/20 0.65
ADORA1 P30542 1/20 0.65
P2RY2 P41231 1/20 0.65
PRKAG1 P54619 1/20 0.65
PRKAA2 P54646 1/20 0.65
PDE4D Q08499 1/20 0.65
KCNH2 Q12809 1/20 0.65
PRKAA1 Q13131 1/20 0.65
PDE3A Q14432 1/20 0.65

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
SCHEMBL188740 0.99 CA5A (0.68) CA5ADNPH1TAS1R3TAS1R1P2RY1
Triphosphate SCHEMBL11811171 0.95 CA5A (0.64) CA5ADNPH1TAS1R3TAS1R1P2RY1
SCHEMBL6848973 0.92 P2RY1 (0.67) CA5ADNPH1TAS1R3TAS1R1P2RY1
SCHEMBL10454900 0.91 P2RY1 (0.67) P2RY1P2RY11SRCP2RY2SMN1; SMN2
SCHEMBL2513837 0.91 P2RY1 (0.67) CA5AP2RY1P2RY11TRPM2SRC
SCHEMBL27183159 0.91 CA5A (0.66) CA5ADNPH1TAS1R3TAS1R1P2RY1
SCHEMBL1942566 0.91 RNASEL (0.68) CA5ADNPH1TAS1R3TAS1R1P2RY1
SCHEMBL625182 0.90 P2RY1 (0.68) P2RY1P2RY11SRCP2RY2SMN1; SMN2
SCHEMBL13177076 0.90 CA5A (0.57) CA5ADNPH1TAS1R3TAS1R1P2RY1
E626 SCHEMBL19222125 0.90 CA5A (0.71) CA5ADNPH1TAS1R3TAS1R1P2RY1

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-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 US disclosed