Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 13/20 | 0.78 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | SLC40A1 | Q9NP59 | 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 | |
|---|---|---|---|---|
| SCHEMBL7258667 | 0.92 | CALCA (0.65) | CALCAEGLN1ADORA3ADORA2AADORA2B | |
| SCHEMBL29393055 | 0.84 | CALCA (1.00) | CALCA | |
| SCHEMBL1198641 | 0.84 | CALCA (1.00) | CALCA | |
| SCHEMBL7257885 | 0.83 | CALCA (0.81) | CALCAEGLN1ADORA3ADORA2AADORA2B | |
| SCHEMBL6046599 | 0.83 | CALCA (1.00) | CALCAEGLN1 | |
| SCHEMBL968119 | 0.83 | CALCA (0.78) | CALCA | |
| SCHEMBL4763118 | 0.83 | CALCA (0.77) | CALCAEGLN1ADORA3ADORA2AADORA2B | |
| SCHEMBL7262566 | 0.82 | CALCA (0.76) | CALCAADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL4062690 | 0.81 | CALCA (0.75) | CALCAADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL7263607 | 0.81 | CALCA (0.79) | CALCAADORA3ADORA2AADORA2BADORA1 |
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 |