Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 8/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
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 | 0.87 | IKBKB (0.40) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4703405 | 0.87 | IKBKB (0.40) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4700035 | 0.87 | IKBKB (0.40) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4705848 | 0.85 | SLC6A2 (0.41) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4701133 | 0.85 | SLC6A2 (0.42) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4702963 | 0.84 | SLC6A2 (0.41) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4704338 | 0.84 | SLC6A2 (0.41) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4701500 | 0.84 | SLC6A2 (0.41) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL4699896 | 0.82 | IKBKB (0.37) | IKBKBSLC6A2SLC6A4SLC6A3NOS2 | |
| SCHEMBL3980020 | 0.80 | JAK2 (0.37) | DHFRIKBKBSLC6A2SLC6A4SLC6A3 |
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 |