Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | REN | P00797 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTR1F | P30939 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3997886 | 0.86 | ALOX15 (0.44) | ALOX15RENNPSR1KDM4EGAA | |
| SCHEMBL4004209 | 0.82 | TACR1 (0.38) | SLC6A2SLC6A4HTR1FSLC6A3SSTR5 | |
| SCHEMBL3998722 | 0.80 | HTR1F (0.38) | SLC6A2SLC6A4HTR1FSLC6A3SSTR5 | |
| SCHEMBL4002539 | 0.80 | HTR1F (0.38) | HTR2ASLC6A2SLC6A4HTR1FSLC6A3 | |
| SCHEMBL3997569 | 0.80 | HTR1F (0.39) | SLC6A2SLC6A4HTR1FSLC6A3 | |
| SCHEMBL3996199 | 0.80 | HTR2A (0.37) | HTR2ASLC6A2SLC6A4HTR1FSLC6A3 | |
| SCHEMBL4000283 | 0.78 | MAPK8 (0.36) | GAAHTR2ASLC6A2SLC6A4HTR1F | |
| SCHEMBL3997555 | 0.78 | REN (0.40) | ALOX15RENSLC6A2SLC6A4LMNA | |
| SCHEMBL3998910 | 0.77 | REN (0.43) | RENNPSR1MAPTSLC6A2SLC6A4 | |
| SCHEMBL4705223 | 0.77 | REN (0.44) | ALOX15RENNPSR1KDM4EGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2066658-A1 | PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2009-06-10 | — | — | EP | claimed |
| WO-2008031735-A1 | PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | claimed |
| EP-2066658-A1 | PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008031735-A1 | PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | disclosed |