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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.62 |
| ▸ | CA1 | P00915 | 6/20 | 0.62 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.54 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | FNTA | P49354 | 1/20 | 0.45 |
| ▸ | FNTB | P49356 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL989156 | 0.93 | CA2 (0.65) | CA2CA1CTRB1CA12CA9 | |
| SCHEMBL989155 | 0.93 | CA2 (0.65) | CA2CA1CTRB1CA12CA9 | |
| SCHEMBL3447634 | 0.93 | CA2 (0.65) | CA2CA1CTRB1CA12CA9 | |
| SCHEMBL18979294 | 0.85 | CA2 (0.64) | CA2CA1CTRB1CA12CA9 | |
| Trifluoroacetic Acid SCHEMBL29652104 | 0.84 | CA2 (0.56) | CA2CA1CTRB1CA12CA9 | |
| SCHEMBL24945573 | 0.83 | CTRB1 (0.55) | CA2CA1CTRB1CA12CA9 | |
| SCHEMBL12636075 | 0.83 | CA1 (0.57) | CA2CA1CTRB1CA12CA9 | |
| SCHEMBL12574366 | 0.83 | CA1 (0.57) | CA2CA1CTRB1CA12CA9 | |
| SCHEMBL29775626 | 0.83 | ITGB3 (0.53) | CA2CA1ITGB3ITGA2BSLC1A2 | |
| SCHEMBL24945572 | 0.83 | CTRB1 (0.55) | CA2CA1CTRB1CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2370474-A1 | METHOD TO PRODUCE HYALURONIC ACID FUNCTIONALIZED DERIVATIVES AND FORMATION OF HYDROGELS THEREOF | Universita' degli Studi di Palermo (IT) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010061005-A1 | METHOD TO PRODUCE HYALURONIC ACID FUNCTIONALIZED DERIVATIVES AND FORMATION OF HYDROGELS THEREOF | UNIVERSITA' DEGLI STUDI DI PALERMO (IT) | 2010-06-03 | — | — | WO | disclosed |