Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6793670

N.NCCC1=CCCCC1

nearest known ligand 0.50

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL132152 0.98
Iodide SCHEMBL31267157 0.95 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL14307127 0.95 SMN1; SMN2 (0.46) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL12569372 0.95 SMN1; SMN2 (0.46) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
Bromide SCHEMBL31267150 0.95 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
Hydrochloric Acid SCHEMBL1241910 0.95 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL12569379 0.91
SCHEMBL18652395 0.84 ALDH1A1 (0.44) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL26027168 0.83 SMN1; SMN2 (0.44) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL8356970 0.80 ALDH1A1 (0.40) ALDH1A1ALOX15SMN1; SMN2PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6811977-B2 DETECTING GENES IN BIOLOGICAL SAMPLE; DETECTOR LIBRARIES CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-11-02 US disclosed
US-20020137057-A1 Rapid, quantitative method for the mass spectrometric analysis of nucleic acids for gene expression and genotyping CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-09-26 US disclosed
WO-2002010186-A1 A RAPID, QUANTITATIVE METHOD FOR THE MASS SPECTROMETRIC ANALYSIS OF NUCLEIC ACIDS FOR GENE EXPRESSION AND GENOTYPING CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-02-07 WO disclosed