Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4286584

Clc1ccc(Cl)c(-c2nc3nc(Cl)c2-3)c1.N

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTPN11 Q06124 2/20 0.39
RAB9A P51151 1/20 0.39
DUSP3 P51452 1/20 0.39
IDO1 P14902 1/20 0.38
CNR2 P34972 1/20 0.36
TP53 P04637 3/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
AGPAT2 O15120 1/20 0.35
PDE2A O00408 3/20 0.33
PDE10A Q9Y233 2/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 SCHEMBL4291541 0.79 RECQL (0.47) ALDH1A1RXFP1RAB9AAGPAT2TSHR
SCHEMBL29518008 0.71 HTR2B (0.66) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL4368469 0.71 HTR2B (0.66) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL440944 0.68 TP53 (0.61) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL29364307 0.68 TP53 (0.61) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL2852592 0.65 TP53 (0.57) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL29489601 0.65 TP53 (0.57) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL8412370 0.64 HTR2B (0.83) HTR2BPDE4DALDH1A1RXFP1RAB9A
Irsogladine SCHEMBL62215 0.64 HTR2B (1.00) HTR2BPDE4DALDH1A1RXFP1RAB9A
Irsogladine SCHEMBL29517870 0.64 HTR2B (1.00) HTR2BPDE4DALDH1A1RXFP1RAB9A

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-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT HTR2B 4202/4885PDE4D 1418/4885ALDH1A1 1326/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HTR2B 3743/4885PDE4D 1132/4885ALDH1A1 1116/4885

“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.