Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 7/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4763117 | 0.87 | CALCA (0.64) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7262570 | 0.86 | CALCA (0.63) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7257882 | 0.86 | CALCA (0.68) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4062694 | 0.86 | CALCA (0.62) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7262169 | 0.86 | CALCA (0.62) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4059745 | 0.85 | CALCA (0.62) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7258002 | 0.85 | CALCA (0.62) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7258125 | 0.83 | CALCA (0.61) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7262563 | 0.82 | CALCA (0.60) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4063925 | 0.82 | CALCA (0.84) | CALCATP53 |
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-1326865-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002030930-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2002-04-18 | — | — | WO | disclosed |