Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 9/20 | 0.65 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7258658 | 0.92 | CALCA (0.78) | CALCAEGLN1ADORA2AADORA1ADORA3 | |
| SCHEMBL4063925 | 0.84 | CALCA (0.84) | CALCATP53 | |
| SCHEMBL7257882 | 0.83 | CALCA (0.68) | CALCAEGLN1ADORA2AADORA1ADORA3 | |
| SCHEMBL6046600 | 0.83 | CALCA (0.84) | CALCAEGLN1 | |
| SCHEMBL968122 | 0.83 | CALCA (0.64) | CALCAEGLN1HTR6TP53ALOX15 | |
| SCHEMBL4763117 | 0.83 | CALCA (0.64) | CALCAEGLN1ADORA2AADORA1ADORA3 | |
| SCHEMBL7262570 | 0.82 | CALCA (0.63) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7263617 | 0.81 | CALCA (0.67) | CALCAADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7262169 | 0.81 | CALCA (0.62) | CALCAEGLN1ADORA2AADORA1ADORA3 | |
| SCHEMBL4062694 | 0.81 | CALCA (0.62) | 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 |