Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.40 |
| ▸ | GCGR | P47871 | 4/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9383396 | 0.94 | KDM4E (0.48) | KDM4EALDH1A1RXFP1MAPK1ADORA2A | |
| SCHEMBL9736194 | 0.92 | GCGR (0.40) | KDM4EALDH1A1RXFP1MAPK1ADORA2A | |
| SCHEMBL9382065 | 0.87 | GCGR (0.41) | KDM4EALDH1A1RXFP1MAPK1GCGR | |
| SCHEMBL9383734 | 0.87 | GCGR (0.40) | ALDH1A1KDM1AIDO1GCGRHPGD | |
| SCHEMBL9388048 | 0.85 | KDM4E (0.45) | KDM4EALDH1A1RXFP1MAPK1ADORA2A | |
| SCHEMBL9736896 | 0.85 | KDM4E (0.45) | KDM4EALDH1A1RXFP1MAPK1ADORA2A | |
| SCHEMBL9384186 | 0.83 | GCGR (0.38) | KDM4EALDH1A1RXFP1MAPK1GCGR | |
| SCHEMBL9735137 | 0.83 | GCGR (0.38) | KDM4EALDH1A1RXFP1MAPK1GCGR | |
| SCHEMBL9387249 | 0.79 | GCGR (0.54) | KDM4EALDH1A1GCGRHTT | |
| SCHEMBL9736123 | 0.77 | GCGR (0.37) | ALDH1A1KDM1AIDO1GCGRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-5145959-A | Enzyme inhibitors; antilipemic agents; treatment of atherosclerosis | BAYER AKTIENGESELLSCHAFT (DE) | 1992-09-08 | — | — | US | claimed |