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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.57 |
| ▸ | CTSS | P25774 | 4/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SDCBP | O00560 | 1/20 | 0.45 |
| ▸ | SDC2 | P34741 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PREP | P48147 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 SCHEMBL29152184 | 1.00 | CTSK (0.57) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL467994 | 0.91 | CTSK (0.61) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL29674710 | 0.91 | CTSK (0.61) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL59323 | 0.91 | CTSK (0.61) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL256794 | 0.91 | CTSK (0.61) | CTSKCTSSCA2CA1CA7 | |
| Fluoride SCHEMBL7360449 | 0.90 | CTSK (0.59) | CTSKCTSSCA2CA1CA7 | |
| Ammonia Solution, Strong SCHEMBL28313812 | 0.90 | CTSK (0.59) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL28058549 | 0.90 | CTSK (0.59) | CTSKCTSSCA2CA1CA7 | |
| Fluoride SCHEMBL7360444 | 0.90 | CTSK (0.59) | CTSKCTSSCA2CA1CA7 | |
| Succinic Acid SCHEMBL29698979 | 0.87 | CTSK (0.57) | CTSKCTSSCA2CA1CA7 |
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-117482911-A | Preparation method and application of valine porous silicon modified graphene composite material | 南京工业大学 | 2024-02-02 | — | — | CN | disclosed |