Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 9/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.34 |
| ▸ | F2RL1 | P55085 | 2/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 2/20 | 0.32 |
| ▸ | PAK1 | Q13153 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3670127 | 1.00 | GRM4 (0.37) | GRM4LRRK2ACACBF2RL1SMPD3 | |
| SCHEMBL3676938 | 0.71 | PAK4 (0.34) | GRM4PAK4PAK1 | |
| SCHEMBL3676940 | 0.71 | PAK4 (0.34) | GRM4PAK4PAK1 | |
| SCHEMBL786214 | 0.65 | ACHE (0.54) | PAK4PAK1 | |
| SCHEMBL786291 | 0.65 | OGA (0.51) | — | |
| SCHEMBL786266 | 0.61 | HTR2C (0.39) | PAK4PAK1 | |
| SCHEMBL16785554 | 0.61 | GRIN2D (0.49) | LRRK2 | |
| SCHEMBL27330164 | 0.61 | GRIN2D (0.49) | LRRK2 | |
| SCHEMBL16785555 | 0.61 | GRIN2D (0.49) | LRRK2 | |
| SCHEMBL17151435 | 0.61 | DYRK1A (0.50) | — |
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-2164842-A2 | THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2010-03-24 | — | — | EP | disclosed |
| WO-2008147626-A2 | THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-12-04 | — | — | WO | disclosed |