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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.35 |
| ▸ | CA2 | P00918 | 12/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 8/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.30 |
| ▸ | CA7 | P43166 | 3/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.30 |
| ▸ | CA3 | P07451 | 2/20 | 0.30 |
| ▸ | CA4 | P22748 | 2/20 | 0.30 |
| ▸ | CA6 | P23280 | 2/20 | 0.30 |
| ▸ | CA5A | P35218 | 2/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL420698 | 0.88 | — | — | |
| SCHEMBL11659373 | 0.85 | — | — | |
| SCHEMBL27175714 | 0.85 | — | — | |
| SCHEMBL25296653 | 0.85 | — | — | |
| Alcohol SCHEMBL28433593 | 0.82 | ALDH1A1 (0.38) | — | |
| Ethylenediamine SCHEMBL25409308 | 0.73 | BLM (0.45) | CA1CA2LMNASLC6A6CYP2C19 | |
| SCHEMBL2321368 | 0.72 | — | — | |
| SCHEMBL10930002 | 0.70 | CA1 (0.39) | CA1CA2LMNACA9CA12 | |
| SCHEMBL30427933 | 0.70 | CA1 (0.39) | CA1CA2LMNACA9CA12 | |
| SCHEMBL28075154 | 0.70 | CA1 (0.33) | CA1CA2CA9 |
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-112341585-A | Redispersible waterborne polyurethane powder and preparation method thereof | 青岛科技大学 | 2021-02-09 | — | — | CN | disclosed |