Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 3/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CCKBR | P32239 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL4282621 | 0.90 | AGXT (0.36) | AGXTHTR2CHCRTR1HCRTR2HTR1A | |
| SCHEMBL4287197 | 0.85 | AGXT (0.37) | AGXTHTR2CHCRTR1HCRTR2HTR1A | |
| SCHEMBL5141171 | 0.83 | AGXT (0.40) | AGXTHCRTR1HCRTR2HTR1AHTR1D | |
| SCHEMBL5141914 | 0.82 | AGXT (0.39) | AGXTHCRTR1HCRTR2HTR1AHTR1D | |
| SCHEMBL4128842 | 0.76 | KDM4E (0.35) | AGXTHTR2CHCRTR1HCRTR2HTR1A | |
| SCHEMBL4133677 | 0.72 | TPH1 (0.33) | AGXTHTR2CHCRTR1HCRTR2PRKDC | |
| SCHEMBL4128912 | 0.70 | PDE5A (0.41) | MEN1KMT2A | |
| SCHEMBL4142910 | 0.67 | HSP90AA1 (0.37) | AGXTHTR1AHTR1DHTR1BPRKDC | |
| SCHEMBL4282837 | 0.67 | HTR7 (0.40) | AGXTMEN1KMT2AHTR7 | |
| SCHEMBL8042201 | 0.66 | AGXT (0.50) | AGXTHCRTR1HCRTR2AOC3PRMT6 |
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-2009071706-A1 | PYRAZOLEPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-06-11 | — | — | WO | disclosed |