Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 6/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7101464 | 0.88 | CALCA (0.51) | CALCAKDM4ETDP1 | |
| SCHEMBL7101457 | 0.78 | TDP1 (0.42) | KDM4ETDP1 | |
| SCHEMBL4059699 | 0.78 | ADORA2A (0.39) | CALCAADORA2AADORA1COMTL3MBTL1 | |
| SCHEMBL4066537 | 0.74 | CALCA (0.74) | CALCAADORA2AADORA1COMT | |
| SCHEMBL4066535 | 0.74 | CALCA (0.62) | CALCAADORA2AADORA1COMT | |
| SCHEMBL4061912 | 0.74 | CALCA (0.61) | CALCAADORA2AADORA1COMT | |
| SCHEMBL4067622 | 0.71 | CALCA (0.44) | CALCAADORA2AADORA1COMTL3MBTL1 | |
| SCHEMBL7263637 | 0.71 | ADORA2A (0.45) | CALCAADORA2AADORA1L3MBTL1 | |
| SCHEMBL5255839 | 0.69 | MEN1 (0.51) | KDM4EL3MBTL1 | |
| SCHEMBL13849012 | 0.69 | CALCA (0.72) | CALCAADORA2AADORA1COMT |
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 4 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 | claimed |
| WO-2002030930-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2002-04-18 | — | — | WO | claimed |
| 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 |