Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL4067974 | 0.97 | CALCA (0.56) | CALCAKDM4ETP53ALOX15MAPT | |
| SCHEMBL4067727 | 0.90 | CALCA (0.65) | CALCAKDM4ETP53ALOX15MAPT | |
| SCHEMBL7258799 | 0.87 | CALCA (0.56) | CALCAKDM4ETP53ALOX15L3MBTL1 | |
| SCHEMBL4067964 | 0.87 | CALCA (0.69) | CALCAKDM4ETP53ALOX15MAPT | |
| SCHEMBL4762094 | 0.87 | CALCA (0.50) | CALCAKDM4ETP53ALOX15MAPT | |
| SCHEMBL4072599 | 0.86 | CALCA (0.68) | CALCAKDM4ETP53ALOX15MAPT | |
| SCHEMBL4762076 | 0.84 | CALCA (0.52) | CALCAKDM4ETP53ALOX15MAPT | |
| SCHEMBL4769035 | 0.84 | CALCA (0.60) | CALCAKDM4ETP53ALOX15MAPT | |
| SCHEMBL4064836 | 0.83 | CALCA (0.46) | CALCAKDM4ETP53ALOX15MAPT | |
| SCHEMBL968122 | 0.82 | CALCA (0.64) | CALCAKDM4ETP53ALOX15MAPT |
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 |