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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 6/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10076382 | 0.93 | PTGS1 (0.47) | PTGS1KCNH2VNN1 | |
| SCHEMBL5329840 | 0.93 | PTGS1 (0.47) | PTGS1KCNH2VNN1 | |
| SCHEMBL18697963 | 0.75 | CA1 (0.37) | PTGS1KCNH2 | |
| Pantoic Acid SCHEMBL11561453 | 0.72 | PTGS1 (0.42) | PTGS1KCNH2VNN1 | |
| Pantoic Acid SCHEMBL11561456 | 0.72 | PTGS1 (0.42) | PTGS1KCNH2VNN1 | |
| Pantoic Acid SCHEMBL28444107 | 0.72 | PTGS1 (0.39) | PTGS1KCNH2VNN1 | |
| SCHEMBL6465187 | 0.72 | PTGS1 (0.69) | PTGS1KCNH2VNN1 | |
| SCHEMBL7042139 | 0.72 | PTGS1 (0.69) | PTGS1KCNH2VNN1 | |
| Pantoic Acid SCHEMBL2696523 | 0.72 | PTGS1 (0.39) | PTGS1KCNH2VNN1 | |
| Pantoic Acid SCHEMBL213981 | 0.72 | PTGS1 (0.48) | PTGS1KCNH2VNN1 |
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-106456836-B | Polymers comprising active agents | 微仙美国有限公司 | 2019-12-06 | — | — | CN | disclosed |