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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.46 |
| ▸ | GGT1 | P19440 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL9008938 | 1.00 | BCHE (0.54) | BCHEITGB3ITGA2BFAAHTLR2 | |
| SCHEMBL668354 | 0.94 | BCHE (0.58) | BCHEFAAHMMEACECPA1 | |
| SCHEMBL668355 | 0.94 | BCHE (0.58) | BCHEFAAHMMEACECPA1 | |
| SCHEMBL249801 | 0.90 | BCHE (0.54) | BCHEFAAHTLR2MMEACE | |
| SCHEMBL249802 | 0.90 | BCHE (0.54) | BCHEFAAHTLR2MMEACE | |
| SCHEMBL3143813 | 0.90 | BCHE (0.54) | BCHEFAAHTLR2MMEACE | |
| Urea SCHEMBL28147696 | 0.89 | BCHE (0.51) | BCHEFAAHTLR2CHRNB2CHRNB4 | |
| SCHEMBL6702717 | 0.88 | FAAH (0.55) | BCHEFAAHTLR2MMEACE | |
| SCHEMBL3953856 | 0.88 | FAAH (0.55) | BCHEFAAHTLR2MMEACE | |
| SCHEMBL21585496 | 0.88 | FAAH (0.55) | BCHEFAAHTLR2MMEACE |
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 |
|---|---|---|---|---|---|---|---|
| US-5582814-A | COMPLEX OF PARAMAGNETIC METAL AND 1-/PARA-BUTYLBENZYL/DIETHYLENETRIAMINEPENTAACETIC ACID | METASYN, INC. (US) | 1996-12-10 | — | — | US | disclosed |
| WO-1995028179-A1 | CONTRAST AGENTS FOR DIAGNOSTIC IMAGING | METASYN, INC. (US) | 1995-10-26 | — | — | WO | disclosed |