Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.46 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.40 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NFKBIA | P25963 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5258796 | 0.80 | SLC40A1 (0.36) | SLC40A1ALOX15HTTGLO1CYP2C19 | |
| SCHEMBL14433127 | 0.79 | HTR5A (0.48) | BACE1SLC40A1SHMT2ALOX15HTT | |
| SCHEMBL9977915 | 0.78 | BACE1 (0.49) | BACE1SLC40A1SHMT2ALOX15HTT | |
| SCHEMBL5255932 | 0.78 | L3MBTL1 (0.43) | SLC40A1ALOX15HTTGLO1PIK3CD | |
| SCHEMBL19897481 | 0.71 | BACE1 (0.54) | BACE1SHMT2NOS3NOS1NOS2 | |
| SCHEMBL9689711 | 0.71 | BACE1 (0.57) | BACE1SHMT2CYP2C19HSP90AA1HSP90AB1 | |
| SCHEMBL4823208 | 0.70 | L3MBTL1 (0.41) | PIK3CDCYP2C19NCF1MEN1KMT2A | |
| SCHEMBL3060454 | 0.70 | BACE1 (0.61) | BACE1SHMT2NOS3NOS1NOS2 | |
| SCHEMBL4711248 | 0.70 | BACE1 (0.53) | BACE1SHMT2HSP90AA1HSP90AB1NOS3 | |
| SCHEMBL9977955 | 0.70 | BACE1 (0.53) | BACE1SHMT2HTTCYP2C19HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1467970-B1 | HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2007-08-22 | — | — | EP | disclosed |