Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.43 |
| ▸ | CALCA | P06881 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7258671 | 0.95 | ADORA2A (0.44) | ADORA2AADORA1CALCAL3MBTL1EGLN1 | |
| SCHEMBL7258269 | 0.90 | ADORA2A (0.47) | ADORA2AADORA1CALCAMAPK1L3MBTL1 | |
| SCHEMBL7263637 | 0.86 | ADORA2A (0.45) | ADORA2AADORA1CALCAMAPK1L3MBTL1 | |
| SCHEMBL7258279 | 0.86 | CALCA (0.47) | ADORA2AADORA1CALCAMAPK1L3MBTL1 | |
| SCHEMBL7258030 | 0.86 | ADORA2A (0.44) | ADORA2AADORA1CALCAMAPK1L3MBTL1 | |
| SCHEMBL4060955 | 0.85 | CALCA (0.57) | CALCAEGLN1 | |
| SCHEMBL4768982 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1CALCAMAPK1L3MBTL1 | |
| SCHEMBL7258140 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1 | |
| SCHEMBL5777865 | 0.84 | ADORA2A (0.42) | ADORA2AADORA1CALCAMAPK1L3MBTL1 | |
| SCHEMBL4762100 | 0.84 | ADORA2A (0.42) | ADORA2AADORA1CALCAMAPK1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | claimed |
| WO-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |