Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 15/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.43 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3461002 | 1.00 | ATR (0.51) | ATRDRD2DRD4RIPK1ACVR1 | |
| SCHEMBL3460317 | 0.87 | ATR (0.59) | ATRDRD2DRD4ACVR1TYRO3 | |
| SCHEMBL3460159 | 0.86 | ATR (0.51) | ATRDRD2DRD4RIPK1ACVR1 | |
| SCHEMBL3462164 | 0.83 | ATR (0.53) | ATRDRD2DRD4RIPK1ACVR1 | |
| SCHEMBL3818463 | 0.83 | ATR (0.54) | ATRACVR1TYRO3 | |
| SCHEMBL3460117 | 0.83 | ATR (0.54) | ATRACVR1TYRO3 | |
| SCHEMBL3462046 | 0.82 | ATR (0.68) | ATRACVR1TYRO3 | |
| SCHEMBL3461440 | 0.82 | ATR (0.55) | ATRACVR1TYRO3 | |
| SCHEMBL3460008 | 0.82 | TYRO3 (0.62) | ATRACVR1TYRO3 | |
| SCHEMBL3460007 | 0.82 | DRD2 (0.54) | ATRDRD2DRD4RIPK1ACVR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501514-A4 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1501514-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093297-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2003-11-13 | — | — | WO | disclosed |