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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.67 |
| ▸ | CA6 | P23280 | 5/20 | 0.67 |
| ▸ | CA7 | P43166 | 5/20 | 0.67 |
| ▸ | CA9 | Q16790 | 5/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | RECQL | P46063 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 4/20 | 0.62 |
| ▸ | CA4 | P22748 | 4/20 | 0.62 |
| ▸ | CA5A | P35218 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | CA3 | P07451 | 3/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
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 SCHEMBL9064478 | 0.93 | CA12 (0.73) | CA12CA6CA7CA9CA14 | |
| Monoethanolamine SCHEMBL2506390 | 0.90 | CA12 (0.62) | CA12CA6CA7CA9CA14 | |
| Ethylene Glycol SCHEMBL2358602 | 0.90 | CA12 (0.71) | CA12CA6CA7CA9CA14 | |
| SCHEMBL18854 | 0.87 | — | — | |
| SCHEMBL2478624 | 0.87 | CA12 (0.67) | CA12CA6CA7CA9CA14 | |
| Diethanolamine SCHEMBL27700041 | 0.87 | CA12 (0.67) | CA12CA6CA7CA9CA14 | |
| Ethylene Glycol SCHEMBL11507834 | 0.87 | CA12 (0.73) | CA12CA6CA7CA9CA14 | |
| Ethylenediamine SCHEMBL512881 | 0.86 | CA12 (0.91) | CA12CA6CA7CA9CA14 | |
| Monoethanolamine SCHEMBL28979415 | 0.85 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| SCHEMBL430987 | 0.84 | — | — |
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-104159968-B | For the method preparing cured epoxy composite | 陶氏环球技术有限责任公司 | 2016-11-02 | — | — | CN | disclosed |