Ethylenediamine

Ethylenediamine

SCHEMBL5159409

NCCN.O=C([O-])C(c1ccccc1O)c1ccccc1O.O=C([O-])C(c1ccccc1O)c1ccccc1O.O=C([O-])C(c1ccccc1O)c1ccccc1O.[Fe+3]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Ethylenediamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
POLB P06746 3/20 0.39
ALPL P05186 1/20 0.39
ALPG P10696 1/20 0.39
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PTPN9 P43378 1/20 0.36
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
AKR1B1 P15121 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
G6PD P11413 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
HRH1 P35367 1/20 0.31

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
Ethylenediamine SCHEMBL6243331 0.96 TSHR (0.40) TSHRGABRA1GABRB2POLBALPL
Ethylenediamine SCHEMBL6472964 0.95 HPGD (0.40) TSHRGABRA1GABRB2POLBALPL
Ethylenediamine SCHEMBL7181567 0.95 HPGD (0.40) TSHRGABRA1GABRB2POLBALPL
Ethylenediamine SCHEMBL7182048 0.95 HPGD (0.40) TSHRGABRA1GABRB2POLBALPL
Ethylenediamine SCHEMBL544736 0.81 TSHR (0.42) TSHRGABRA1GABRB2POLBHPGD
Ethylenediamine SCHEMBL5159417 0.80 TSHR (0.41) TSHRGABRA1GABRB2POLBHPGD
SCHEMBL10615720 0.76 PTPN9 (0.35) TSHRGABRA1GABRB2POLBALPL
SCHEMBL1161818 0.72 GABRA1 (0.48) TSHRGABRA1GABRB2POLBHPGD
SCHEMBL5842467 0.72 GABRA1 (0.52) TSHRGABRA1GABRB2POLBHPGD
Diphenylacetic Acid SCHEMBL28650266 0.72 CTSD (0.47) POLBALPLALPGTAAR1TDP1

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
EP-1752043-B1 Molluscicide composition, dosage forms comprising such compositions and method for its use. DENKA REGISTRATIONS B V (NL) 2015-08-05 EP disclosed
EP-1752043-A1 Molluscicide composition, dosage forms comprising such compositions and method for its use. Denka International Holding B.V. (NL) 2007-02-14 EP disclosed
WO-2005027617-A2 FERTILIZER COMPOSITIONS FOR PLANTS CONTAINING PHOSPHATE AND PHOSPHONATE SALTS, METAL CHELATES, AND DERIVATIVES THEREOF FOLIAR NUTRIENTS, INC. (US) 2005-03-31 WO disclosed
EP-1339285-A2 FUNGICIDAL AND BACTERICIDAL COMPOSITIONS FOR PLANTS CONTAINING PHOSPHONATE AND PHOSPHATE SALTS, METAL CHELATES, AND DERIVATIVES THEREOF Foliar Nutrients, Inc. (US) 2003-09-03 EP disclosed
US-20020193351-A1 Fungicidal and bactericidal compositions for plants containing phosphonate and phosphate salts, metal chelates, and derivatives thereof TAYLOR JOHN B (US) 2002-12-19 US disclosed
WO-2002056680-A2 FUNGICIDAL AND BACTERICIDAL COMPOSITIONS FOR PLANTS CONTAINING PHOSPHONATE AND PHOSPHATE SALTS, METAL CHELATES, AND DERIVATIVES THEREOF FOLIAR NUTRIENTS, INC. (US) 2002-07-25 WO disclosed
US-6348193-B1 Method for inhibiting pathogenic fungi and bacteria in plants using Pseudomonas aureofaciens BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2002-02-19 US disclosed
WO-2001015529-A1 FUNGICIDAL AND BACTERICIDAL COMPOSITIONS FOR PLANTS CONTAINING COMPOUNDS IN THE FORM OF HEAVY METAL CHELATES FOLIAR NUTRIENTS, INC. (US) 2001-03-08 WO disclosed
US-6139879-A IN AQUEOUS SOLUTION FOLIAR NUTRIENTS, INC. (US) 2000-10-31 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-20020193351-A1 Fungicidal and bactericidal compositions for plants containing phosphonate and phosphate salts, metal chelates, and derivatives thereof PPM1F, PPA1, PPM1G TSHR 3412/4885GABRA1 1601/4885GABRB2 1805/4885

“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.