Ethylenediamine

Ethylenediamine

SCHEMBL454648

NCCN.O.O=P(O)(O)CCP(=O)(O)O

nearest known ligand 0.71

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
ALDH1A1 P00352 3/20 0.71
LMNA P02545 2/20 0.63
BLM P54132 2/20 0.63
CYP3A4 P08684 1/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
TYMS P04818 1/20 0.50
GABBR2 O75899 3/20 0.43
GABBR1 Q9UBS5 3/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
GRM4 Q14833 1/20 0.42
ANPEP P15144 2/20 0.41
ERAP2 Q6P179 1/20 0.41
OTC P00480 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MMP2 P08253 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39

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 SCHEMBL2852681 0.97 ALDH1A1 (0.75) ALDH1A1LMNABLMCYP3A4NFKB1
Ethylenediamine SCHEMBL241966 0.97 ALDH1A1 (0.75) ALDH1A1LMNABLMCYP3A4NFKB1
Ethylenediamine SCHEMBL15053407 0.88 LMNA (0.74) ALDH1A1LMNABLMCYP3A4NFKB1
Ethylenediamine SCHEMBL69119 0.84 LMNA (0.78) ALDH1A1LMNABLMCYP3A4NFKB1
Ethylenediamine SCHEMBL10933099 0.84 LMNA (0.78) ALDH1A1LMNABLMCYP3A4NFKB1
Monoethanolamine SCHEMBL6443000 0.84 ALDH1A1 (0.67) ALDH1A1LMNABLMCYP3A4NFKB1
Monoethanolamine SCHEMBL8591801 0.84 ALDH1A1 (0.67) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL80285 0.83
SCHEMBL8352725 0.82 TYMS (0.69) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL81370 0.82 TYMS (0.69) ALDH1A1LMNABLMCYP3A4NFKB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064535-A1 METHOD OF PREPARING SAMPLES CONTAINING NUCLEIC ACIDS OLYMPUS CORPORATION (JP) 2012-03-15 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-20120064535-A1 METHOD OF PREPARING SAMPLES CONTAINING NUCLEIC ACIDS ADAR, POLRMT, NOP2 ALDH1A1 2312/4885LMNA 356/4885BLM 159/4885

“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.