Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6000289

C=CC(c1ccccc1)c1ccccn1.N

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 1/20 0.55
CHRM2 P08172 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 6/20 0.40
CYP3A4 P08684 4/20 0.40
MAPT P10636 4/20 0.40
ALOX15 P16050 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SLC10A1 Q14973 1/20 0.37
KCNA5 P22460 3/20 0.37

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
SCHEMBL29029215 0.98 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL10569701 0.98 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
Hydrochloric Acid SCHEMBL28453921 0.96 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL28711798 0.87 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL1515754 0.79 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL6160196 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
Ammonia Solution, Strong SCHEMBL27626967 0.77 KDM4E (0.52) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL17858535 0.77 DYRK1A (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1RAB9A
SCHEMBL7640862 0.76 KDM4E (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL11215459 0.75 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CHRM2SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 US disclosed
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCES, INC. 2004-04-15 US disclosed
US-6638954-B2 Antiepileptic agents; stroke therapy K AND K BIOSCIENCES, INC. 2003-10-28 US disclosed
US-20020111371-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCES, INC. 2002-08-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C SLC6A2 1494/4885SLC6A4 1569/4885SLC6A3 789/4885
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C SLC6A2 1753/4885SLC6A4 1735/4885SLC6A3 986/4885
US-20020111371-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C SLC6A2 1753/4885SLC6A4 1735/4885SLC6A3 986/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.