Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8998366

N.O=C(O)C(CC(O)CO)CC(O)CO

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.44
OR51E2 Q9H255 1/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
PDE4A P27815 1/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FOLH1 Q04609 5/20 0.34

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
SCHEMBL28543838 0.90 SLC1A1 (0.56) SLC1A1OR51E2LMNAALDH1A1SLC1A3
SCHEMBL632316 0.83 FOLH1 (0.48) SLC1A1OR51E2LMNAALDH1A1TDP1
SCHEMBL5694983 0.83 SLC1A1 (0.54) SLC1A1OR51E2LMNAALDH1A1SLC1A3
SCHEMBL7591996 0.83 LMNA (0.52) SLC1A1OR51E2LMNAFOLH1
SCHEMBL28661280 0.80 CHRM1 (0.60) SLC1A1OR51E2SLC1A3SLC1A2CHRM1
SCHEMBL27753510 0.80 MME (0.40) SLC1A1OR51E2LMNAALDH1A1SLC1A3
SCHEMBL14871742 0.78 GRIK1 (0.44) SLC1A1SLC1A3SLC1A2FOLH1USP2
SCHEMBL8062118 0.78 GRIK1 (0.44) SLC1A1SLC1A3SLC1A2FOLH1USP2
SCHEMBL17635909 0.78 OR51E2 (0.48) SLC1A1OR51E2LMNAALDH1A1PDE4A
SCHEMBL851734 0.77 GRIK1 (0.43) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 WO disclosed