Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3715152

N.c1ccc2sncc2c1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CYP2A6 P11509 2/20 0.34
TDO2 P48775 1/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ALOX12 P18054 1/20 0.33
TRPM5 Q9NZQ8 8/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TRPA1 O75762 2/20 0.32
ADRA2A P08913 1/20 0.31
FBP1 P09467 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
DRD2 P14416 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL2877030 0.97
SCHEMBL22858 0.97
SCHEMBL29355782 0.97
SCHEMBL28993070 0.95 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4CYP2A6TDO2
Hydrochloric Acid SCHEMBL10940081 0.95 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4CYP2A6TDO2
Benzene SCHEMBL27554992 0.95 TDO2 (0.39) SLC6A3SLC6A2SLC6A4CYP2A6TDO2
SCHEMBL4579663 0.95 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4CYP2A6TDO2
SCHEMBL29253629 0.95 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4CYP2A6TDO2
Hydrogen Sulfide SCHEMBL28558145 0.95 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4CYP2A6TDO2
Hydrochloric Acid SCHEMBL27262448 0.95 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4CYP2A6TDO2

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-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
CN-102209715-A 4-halo-3 -amino- l, 2 -benzisothiazole compounds as pesticides SYNGENTA PARTICIPATIONS AG 2011-10-05 CN 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 SLC6A3 2454/4885SLC6A2 3613/4885SLC6A4 2406/4885

“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.