Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8128481

N.N.O=POc1ccccc1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
TSHR P16473 2/20 0.43
SRC P12931 1/20 0.42
CA4 P22748 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
GSTP1 P09211 1/20 0.37
KCNA3 P22001 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.36
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MAOA P21397 2/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL66652 0.97
SCHEMBL82869 0.97
SCHEMBL8128483 0.94 LTA4H (0.43) LTA4HTSHRSRCCA4CA1
SCHEMBL9856257 0.94 LTA4H (0.43) LTA4HTSHRSRCCA4CA1
SCHEMBL689382 0.94 LTA4H (0.43) LTA4HTSHRSRCCA4CA1
SCHEMBL23780655 0.94 LTA4H (0.43) LTA4HTSHRSRCCA4CA1
SCHEMBL23780656 0.94 LTA4H (0.43) LTA4HTSHRSRCCA4CA1
SCHEMBL23300936 0.94 LTA4H (0.43) LTA4HTSHRSRCCA4CA1
SCHEMBL23535412 0.94 LTA4H (0.43) LTA4HTSHRSRCCA4CA1
Methane SCHEMBL8040454 0.94 LTA4H (0.43) LTA4HTSHRSRCCA4CA1

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-6051677-A Gas separating membrane having a polycarbodiimide resin layer NITTO DENKO CORPORATION (JP) 2000-04-18 US disclosed