Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5999985

CC(c1cccnc1)c1cccc(Br)c1.N

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.46
TBXAS1 P24557 2/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
GRM2 Q14416 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL6000248 0.83 TBXAS1 (0.55) TBXAS1CYP11B1CYP11B2CFTRSLC6A2
Ammonia Solution, Strong SCHEMBL5999476 0.83 SLC6A2 (0.39) KCNA5CYP11B1CYP11B2SLC6A2SLC6A4
SCHEMBL10446411 0.82 CFTR (0.58) KCNA5TBXAS1CYP11B1CYP11B2CFTR
Ammonia Solution, Strong SCHEMBL5998612 0.80 TBXAS1 (0.43) TBXAS1CYP11B1CYP11B2CFTRSLC6A2
Ammonia Solution, Strong SCHEMBL6000004 0.80 CYP19A1 (0.49) KCNA5TBXAS1CYP11B1CYP11B2CFTR
Ammonia Solution, Strong SCHEMBL5998613 0.80 KCNA5 (0.44) KCNA5TBXAS1CFTRSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5999497 0.78 CFTR (0.61) KCNA5TBXAS1CYP11B1CYP11B2CFTR
SCHEMBL23565933 0.78 TBXAS1 (0.43) TBXAS1CYP11B1CYP11B2CFTRSLC6A2
SCHEMBL6733043 0.78 CFTR (0.43) KCNA5CYP11B1CYP11B2CFTRSLC6A2
SCHEMBL17069338 0.76 CFTR (0.63) KCNA5TBXAS1CYP11B1CYP11B2CFTR

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-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

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

For each of this compound's patents that has machine-readable text (1 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 KCNA5 173/4885TBXAS1 2230/4885CYP11B1 2146/4885

“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.