Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1780462

CC(CN)c1cccc2ccccc12.N

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TAAR1 Q96RJ0 2/20 0.45
AOC3 Q16853 1/20 0.45
SLC6A4 P31645 1/20 0.42
ALOX5 P09917 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL6018191 0.98 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL29484444 0.98 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL28893602 0.98 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL28422249 0.98 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL6014505 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL28381940 0.82 ALDH1A1 (0.43) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL6307997 0.80 HTR1B (0.45) HTR2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2127427 0.80 TSHR (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL15211048 0.80 TSHR (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL11781001 0.79 ALDH1A1 (0.47) HTR2AALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US disclosed
US-20060148904-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-07-06 US disclosed
US-20060020041-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-01-26 US disclosed
US-6951961-B2 Methods of use and compositions for the diagnosis and treatment of infectious disease GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-10-04 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 (4 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-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE HTR2A 4049/4885HTR2C 4011/4885HTR2B 4639/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL HTR2A 4182/4885HTR2C 4568/4885HTR2B 4685/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL HTR2A 4208/4885HTR2C 4315/4885HTR2B 4676/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL HTR2A 4208/4885HTR2C 4315/4885HTR2B 4676/4885

“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.