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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1506725 | 0.91 | NPC1 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2MTNR1A | |
| SCHEMBL6025421 | 0.91 | NPC1 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2MTNR1A | |
| Styrene SCHEMBL9659878 | 0.83 | NPC1 (0.54) | NPC1RAB9AALDH1A1SMN1; SMN2MTNR1A | |
| Thiophene SCHEMBL27865857 | 0.81 | NPC1 (0.53) | NPC1RAB9AALDH1A1SMN1; SMN2MTNR1A | |
| SCHEMBL27835866 | 0.79 | NPC1 (0.58) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2033350 | 0.76 | NPC1 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2GLA | |
| SCHEMBL27530558 | 0.75 | NPC1 (0.68) | NPC1RAB9AALDH1A1SMN1; SMN2GLA | |
| SCHEMBL27490829 | 0.75 | NPC1 (0.58) | NPC1RAB9AALDH1A1SMN1; SMN2GLA | |
| SCHEMBL8589754 | 0.74 | ABCG2 (0.58) | ALDH1A1HDAC1HDAC2HDAC6MAPT | |
| SCHEMBL19449787 | 0.74 | ALDH1A1 (0.55) | NPC1RAB9AALDH1A1SMN1; SMN2MTNR1A |
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-1485377-A1 | PYRANONES USEFUL AS ATM INHIBITORS | Kudos Pharmaceuticals Limited (GB) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003070726-A1 | PYRANONES USEFUL AS ATM INHIBITORS | KUDOS PHARMACEUTICALS LTD (GB) | 2003-08-28 | — | — | WO | disclosed |