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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.74 |
| ▸ | TSHR | P16473 | 3/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.56 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.56 |
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 SCHEMBL28097198 | 1.00 | ALDH1A1 (0.74) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL1923016 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| 2-Hydroxybenzoic Acid Hexyl Ester SCHEMBL113059 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL1005991 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL4731100 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL8927603 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL411474 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL7459965 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL8927962 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL2801630 | 0.95 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNATP53CYP3A4 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104031701-B | A kind of low-sulfur diesel-oil lubrication anti-wear agent | 陕西省石油化工研究设计院 | 2016-10-19 | — | — | CN | claimed |