Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL266843

CCc1cccc(C(F)(F)F)c1.N

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.61
HTR2B P41595 2/20 0.61
HTR2C P28335 1/20 0.61
TAAR1 Q96RJ0 1/20 0.60
IDO1 P14902 2/20 0.58
SIGMAR1 Q99720 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
ADRA2C P18825 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
DRD3 P35462 1/20 0.57
OPRK1 P41145 1/20 0.57
ACP3 P15309 1/20 0.55
MIF P14174 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
EPHX1 P07099 2/20 0.50
MAOB P27338 3/20 0.49

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
Hydrochloric Acid SCHEMBL21272642 0.98 IDO1 (0.59) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL46757 0.98 HTR2A (0.63) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL12330478 0.88 HTR2A (0.54) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL25949968 0.87 TAAR1 (0.61) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL27361690 0.87 HTR2A (0.53) HTR2AHTR2BHTR2CTAAR1IDO1
Acetic Acid SCHEMBL3077099 0.87 ACP3 (0.56) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL13237463 0.84 IDO1 (0.51) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL30876859 0.83 TAAR1 (0.67) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL429769 0.83 TAAR1 (0.67) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL17805427 0.83 HTR2A (0.47) HTR2AHTR2BHTR2CTAAR1IDO1

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-8431378-B2 Aminotransferase, gene encoding the same, and methods of using them KANEKA CORPORATION (JP) 2013-04-30 US disclosed
US-20120164724-A1 NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM KANEKA CORPORATION (JP) 2012-06-28 US disclosed
US-8133705-B2 Aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2012-03-13 US disclosed
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2010-11-11 US disclosed
EP-1889907-B1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME KANEKA CORP (JP) 2009-09-02 EP disclosed
EP-1045025-B1 (S)-alpha-PHENETHYLAMINE : PYRUVATE TRANSAMINASE KANEKA CORP (JP) 2008-10-22 EP disclosed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 EP disclosed
US-6346402-B1 ACTS ON OPTICALLY ACTIVE (S)-ALPHA-PHENETHYLAMINE AND PYRUVIC ACID TO FORM ACETOPHENONE AND ALANINE; FOR PRODUCING CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS KANEKA CORPORATION (JP) 2002-02-12 US disclosed
EP-1045025-A1 (S)-alpha-PHENETHYLAMINE : PYRUVATE TRANSAMINASE KANEKA CORPORATION (JP) 2000-10-18 EP 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-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them BCAT1, AGXT, ALDH7A1 HTR2A 4765/4885HTR2B 4763/4885HTR2C 4788/4885

“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.