Ethylenediamine — predicted protein targets

Known targets — ChEMBL curated mechanism

ADORA1 ADORA2A ADORA2B ADORA3 PDE3A PDE3B PDE4A PDE4B PDE4C PDE4D

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 3)

	gene	UniProt	supporting neighbours	confidence
▸	PAOX	Q6QHF9	2/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	GABRR1	P24046	2/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL17785222	0.98	PAOX (0.33)	PAOXGABRR1
SCHEMBL4653054	0.86	CA12 (0.41)	PAOXALDH1A1
SCHEMBL27224307	0.86	CA12 (0.41)	PAOXALDH1A1
SCHEMBL2354206	0.78	ADH1B (0.42)	PAOXALDH1A1
SCHEMBL10770536	0.78	CYP2C9 (0.31)	—
SCHEMBL3284759	0.78	ADH1B (0.42)	PAOXALDH1A1
SCHEMBL28174397	0.78	ALDH1A1 (0.33)	PAOXALDH1A1
SCHEMBL3076357	0.75	ALOX15 (0.47)	ALDH1A1
SCHEMBL8015736	0.75	—	—
SCHEMBL3076362	0.75	ALOX15 (0.47)	ALDH1A1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0943601-B1	Vinylcyclopropane-(meth)acrylates as well as their use	IVOCLAR VIVADENT AG (LI)	2003-05-02	—	—	EP	disclosed
EP-0943601-A1	Vinylcyclopropane-(meth)acrylates as well as their use	IVOCLAR AG (LI)	1999-09-22	—	—	EP	disclosed