Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL266446

CCc1ccccc1Cl.N

nearest known ligand 0.54

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
PNMT P11086 1/20 0.54
TAAR1 Q96RJ0 3/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
AOC3 Q16853 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.45
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44

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
SCHEMBL30633058 0.97
SCHEMBL91282 0.97
SCHEMBL11652064 0.95 IDO1 (0.54) IDO1PNMTTAAR1NPC1RAB9A
Methylamine SCHEMBL27647640 0.92 PNMT (0.58) IDO1PNMTTAAR1NPC1RAB9A
Formaldehyde SCHEMBL27583788 0.92 IDO1 (0.52) IDO1PNMTTAAR1NPC1RAB9A
Hydrogen Peroxide SCHEMBL11529291 0.92 IDO1 (0.52) IDO1PNMTTAAR1NPC1RAB9A
Propane SCHEMBL28042915 0.88 NPC1 (0.48) IDO1PNMTTAAR1NPC1RAB9A
SCHEMBL27796775 0.88 NPC1 (0.53) IDO1PNMTTAAR1NPC1RAB9A
Phosphonic Acid SCHEMBL10824662 0.86 NPC1 (0.47) IDO1PNMTTAAR1NPC1RAB9A
Acetic Acid SCHEMBL27865224 0.86 NPC1 (0.52) IDO1PNMTNPC1RAB9AALDH1A1

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 11 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-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 EP disclosed
EP-0838448-B1 Process for the separation of a mixture of enantiomers DSM IP ASSETS BV (NL) 2004-04-21 EP disclosed
US-6465684-B2 DIASTEREOMER COMPLEX OF AT LEAST THREE COMPOUNDS, AT LEAST ONE IS A RESOLVING AGENT IN OPTICALLY ACTIVE FORM, AND AT LEAST ONE IS AN ENANTIOMER IN OPTICALLY ACTIVE FORM; RAPID SEPARATION DSM N.V. (NL) 2002-10-15 US disclosed
US-20010051747-A1 Process for the separation of a mixture of enantiomers DSM N.V. 2001-12-13 US disclosed
US-6235927-B1 OPTICAL RESOLUTION OF ENANTIOMORPHS OF COMPLEXES DSM N.V. (NL) 2001-05-22 US disclosed
EP-0838448-A1 Process for the separation of a mixture of enantiomers DSM N.V. (NL) 1998-04-29 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 (2 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-20010051747-A1 Process for the separation of a mixture of enantiomers EPHX2, VKORC1, ALDH1A2 IDO1 2100/4885PNMT 1041/4885TAAR1 4282/4885
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them BCAT1, AGXT, ALDH7A1 IDO1 417/4885PNMT 594/4885TAAR1 1322/4885

“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.