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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 11/20 | 0.83 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9243 | 0.91 | TAAR1 (1.00) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| Fluoride SCHEMBL28130014 | 0.89 | TAAR1 (0.96) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL27290500 | 0.89 | TAAR1 (0.96) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| Bromide SCHEMBL29135558 | 0.89 | TAAR1 (0.96) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| Ammonia Solution, Strong SCHEMBL27639428 | 0.89 | TAAR1 (0.96) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| Methane SCHEMBL28185797 | 0.89 | TAAR1 (0.96) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL27571473 | 0.87 | TAAR1 (0.92) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| SCHEMBL28203530 | 0.84 | TAAR1 (0.86) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| SCHEMBL27535102 | 0.84 | TAAR1 (0.86) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA | |
| SCHEMBL30554082 | 0.81 | TAAR1 (0.80) | TAAR1CYP2D6TSHRSMN1; SMN2LMNA |
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-116836371-A | Imidazole complex norbornene copolymer and preparation method and application thereof | 国家粮食和物资储备局科学研究院 | 2023-10-03 | — | — | CN | disclosed |