Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 7/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7257998 | 0.92 | CALCA (0.73) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7262570 | 0.91 | CALCA (0.63) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7257882 | 0.90 | CALCA (0.68) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7262169 | 0.90 | CALCA (0.62) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4763117 | 0.86 | CALCA (0.64) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7016409 | 0.85 | CALCA (0.62) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4062694 | 0.85 | CALCA (0.62) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4059745 | 0.84 | CALCA (0.62) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4762289 | 0.83 | CALCA (0.61) | CALCAADORA2AADORA1TP53ALOX15 | |
| SCHEMBL7262566 | 0.83 | CALCA (0.76) | CALCAADORA2AADORA1ADORA3ADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| 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 |