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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.35 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Monoethanolamine SCHEMBL2773545 | 0.89 | ALDH1A1 (0.42) | ALDH1A1GABBR2GABBR1CYP1A2TSHR | |
| Phosphoric Acid Monomethyl Ester SCHEMBL6379814 | 0.85 | ALDH1A1 (0.43) | ALDH1A1GABBR2GABBR1CYP1A2TSHR | |
| SCHEMBL12583935 | 0.85 | — | — | |
| Methylamine SCHEMBL28070982 | 0.84 | — | — | |
| SCHEMBL28223995 | 0.84 | CA2 (0.43) | ALDH1A1TSHRLMNABLMCYP3A4 | |
| SCHEMBL47754 | 0.84 | — | — | |
| Propane SCHEMBL4629637 | 0.81 | CA2 (0.35) | TSHRFDPS | |
| Hydrazine SCHEMBL10716319 | 0.81 | CA2 (0.35) | BLMFDPS | |
| SCHEMBL28263294 | 0.81 | CA2 (0.35) | BLMFDPS | |
| Glycine SCHEMBL27948401 | 0.81 | GLRA1 (0.50) | ALDH1A1GABBR2GABBR1CYP1A2TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6331629-A | — | — | None | — | — | JP | disclosed |
| JP-H06331629-A | UNSTABLE SACCHARIFIED HEMOGLOBIN DISSOCIATING AGENT AND MEASURING METHOD FOR SACCHARIFIED HEMOGLOBIN USING SAME | SEKISUI CHEM CO LTD | 1994-12-02 | — | — | JP | disclosed |