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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493736 | 0.91 | TSHR (0.44) | TSHRCYP1A2MAPTPOLBGAA | |
| SCHEMBL334176 | 0.91 | TSHR (0.50) | TSHRADRA2AADRA1AMAPTBLM | |
| SCHEMBL30529014 | 0.88 | TSHR (0.48) | TSHRADRA2AADRA1AMAPTBLM | |
| SCHEMBL27561555 | 0.88 | TSHR (0.48) | TSHRADRA2AADRA1AMAPTBLM | |
| SCHEMBL23651708 | 0.87 | CYP1A2 (0.61) | TSHRCYP1A2MAPTBLMPOLB | |
| SCHEMBL22112059 | 0.86 | TSHR (0.37) | TSHRCYP1A2ADRA2AADRA1AMAPT | |
| SCHEMBL22489508 | 0.85 | TLR2 (0.38) | TSHRCYP1A2MAPTPOLBGAA | |
| SCHEMBL19519866 | 0.85 | TLR2 (0.38) | TSHRCYP1A2MAPTPOLBGAA | |
| SCHEMBL23157471 | 0.85 | TLR2 (0.38) | TSHRCYP1A2MAPTPOLBGAA | |
| SCHEMBL7350832 | 0.84 | MAPT (0.53) | TSHRCYP1A2MAPTALDH1A1TDP1 |
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-6369268-B1 | Diester amine adducts | CIBA SPECIALTY CHEMICALS CORPORATION | 2002-04-09 | — | — | US | disclosed |