Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 8/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 6/20 | 0.32 |
| ▸ | NOS3 | P29474 | 5/20 | 0.32 |
| ▸ | NOS1 | P29475 | 5/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4703961 | 0.86 | IKBKB (0.40) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4703405 | 0.86 | IKBKB (0.40) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4700035 | 0.86 | IKBKB (0.40) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4705848 | 0.85 | SLC6A2 (0.41) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4701133 | 0.84 | SLC6A2 (0.42) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4702963 | 0.83 | SLC6A2 (0.41) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4704338 | 0.83 | SLC6A2 (0.41) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4701500 | 0.83 | SLC6A2 (0.41) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4703002 | 0.82 | DHFR (0.43) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4705830 | 0.78 | IKBKB (0.35) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 |
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-2001867-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110340-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |