Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR5 | P35346 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR1F | P30939 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 3/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4003258 | 0.91 | SLC6A2 (0.37) | SSTR5CYP1A2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL4001474 | 0.91 | HTR1F (0.37) | CYP1A2CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL3997842 | 0.91 | PTK2 (0.37) | SSTR5CYP1A2CYP2C9CYP2C19SLC6A2 | |
| SCHEMBL3999681 | 0.91 | SLC6A2 (0.36) | CYP1A2CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL3995784 | 0.90 | SSTR5 (0.45) | SSTR5SLC6A2SLC6A4SLC6A3TDO2 | |
| SCHEMBL4002694 | 0.88 | SLC6A4 (0.39) | SLC6A2SLC6A4SLC6A3TACR1MAPK8 | |
| SCHEMBL3998910 | 0.88 | REN (0.43) | SSTR5SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL3997957 | 0.88 | TACR1 (0.39) | SSTR5CYP1A2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL3998025 | 0.87 | SLC6A2 (0.37) | SSTR5SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL3993849 | 0.86 | PDE4A (0.42) | CYP1A2CYP2C9CYP2C19SLC6A2SLC6A4 |
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 |