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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | P2RY10 | O00398 | 4/20 | 0.39 |
| ▸ | GPR34 | Q9UPC5 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Propylamine SCHEMBL28053296 | 0.97 | CYP3A4 (0.64) | CYP3A4L3MBTL1TDP1TSHRATM | |
| Butylamine SCHEMBL28164625 | 0.95 | CYP3A4 (0.62) | CYP3A4L3MBTL1TDP1TSHRATM | |
| SCHEMBL28844265 | 0.94 | CYP3A4 (0.60) | CYP3A4L3MBTL1TDP1TSHRATM | |
| Butylamine SCHEMBL27969351 | 0.94 | CYP3A4 (0.60) | CYP3A4L3MBTL1TDP1TSHRATM | |
| Monoethanolamine SCHEMBL11437204 | 0.94 | CYP3A4 (0.60) | CYP3A4L3MBTL1TDP1TSHRATM | |
| SCHEMBL10956918 | 0.94 | CYP3A4 (0.60) | CYP3A4L3MBTL1TDP1TSHRATM | |
| Methylamine SCHEMBL28062545 | 0.93 | CYP3A4 (0.68) | CYP3A4L3MBTL1TDP1TSHRATM | |
| SCHEMBL27678596 | 0.93 | CYP3A4 (0.72) | CYP3A4L3MBTL1TDP1TSHRATM | |
| SCHEMBL116247 | 0.93 | CYP3A4 (0.72) | CYP3A4L3MBTL1TDP1TSHRATM | |
| Hexadecylamine SCHEMBL11063468 | 0.92 | CYP3A4 (0.58) | CYP3A4L3MBTL1TDP1TSHRATM |
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 |
|---|---|---|---|---|---|---|---|
| US-5622999-A | HEAT AND CHEMICAL RESISTANCE | POLINVENT FEJLESZTO, KIVITELEZO ES ERTEKESITO KFT (HU) | 1997-04-22 | — | — | US | disclosed |