Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4076473

CCCCCOC1CC1.N

nearest known ligand 0.45

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
GBA1 P04062 3/20 0.45
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 2/20 0.35
CES2 O00748 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 1/20 0.34

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 SCHEMBL14359739 0.98 GBA1 (0.48) EPHX2GBA1ALDH1A1TDP1MEN1
SCHEMBL5987408 0.97
SCHEMBL11451186 0.95 GBA1 (0.50) EPHX2GBA1ALDH1A1TDP1MEN1
SCHEMBL5986706 0.90
SCHEMBL10216286 0.89 EPHX2 (0.42) EPHX2GBA1ALDH1A1TDP1MEN1
SCHEMBL19576088 0.89 EPHX2 (0.42) EPHX2GBA1ALDH1A1TDP1MEN1
Ethylene Glycol SCHEMBL27905292 0.89 MEN1 (0.48) EPHX2GBA1ALDH1A1TDP1MEN1
SCHEMBL898896 0.88 GBA1 (0.43) EPHX2GBA1ALDH1A1TDP1MEN1
SCHEMBL7999870 0.88 NAAA (0.46) EPHX2GBA1ALDH1A1TDP1MEN1
SCHEMBL13107171 0.88 TSHR (0.46) EPHX2GBA1ALDH1A1TDP1MEN1

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-7485754-B2 Efficient method for preparing 3-aryloxy-3-arylpropylamines and their optical stereoisomers APOTEX PHARMACHEM INC. (CA) 2009-02-03 US disclosed
WO-2007006132-A1 AN EFFICIENT METHOD FOR PREPARING 3-ARYLOXY-3- ARYLPROPYLAMINES AND THEIR OPTICAL STEREOISOMERS APOTEX PHARMACHEM INC. (CA) 2007-01-18 WO disclosed
US-20070010678-A1 Efficient method for preparing 3-aryloxy-3-arylpropylamines and their optical stereoisomers APOTEX PHARMACHEM INC. 2007-01-11 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-20070010678-A1 Efficient method for preparing 3-aryloxy-3-arylpropylamines and their optical stereoisomers SLC6A4, HTR3A, TPH2 EPHX2 3049/4885GBA1 1612/4885ALDH1A1 629/4885

“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.