Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | PLAU | P00749 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | SOX18 | P35713 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2005477 | 0.84 | CYP1A2 (0.53) | CYP1A2PLAUHDAC1HDAC8SLC13A5 | |
| SCHEMBL13034170 | 0.78 | CYP1A2 (0.53) | CYP1A2HDAC1HDAC8SLC13A5PDPK1 | |
| SCHEMBL22920624 | 0.78 | APP (0.49) | CYP1A2HDAC1HDAC8SLC13A5PDPK1 | |
| Hydrochloric Acid SCHEMBL27558956 | 0.77 | CYP1A2 (0.51) | CYP1A2HDAC1HDAC8SLC13A5PDPK1 | |
| SCHEMBL3663358 | 0.77 | HTR3E (0.51) | CYP3A4 | |
| SCHEMBL20809625 | 0.76 | CYP1A2 (0.50) | CYP1A2HDAC1HDAC8SLC13A5PDPK1 | |
| Hydrochloric Acid SCHEMBL1625284 | 0.75 | PLAU (0.47) | CYP1A2PLAUHDAC1HDAC8MC4R | |
| SCHEMBL5267795 | 0.75 | THRB (0.56) | CYP1A2HDAC1HDAC8SLC13A5PDPK1 | |
| SCHEMBL6934376 | 0.75 | CYP1A2 (0.49) | CYP1A2HDAC1HDAC8SLC13A5PDPK1 | |
| SCHEMBL3661748 | 0.74 | IDO1 (0.42) | HDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139895-A1 | AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008116742-A1 | AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-02 | — | — | WO | disclosed |