Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 14/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | LDHB | P07195 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL13401182 | 0.82 | ATR (0.45) | ATRLDHALDHBPIK3CGPIK3CA | |
| SCHEMBL4730225 | 0.81 | ATR (0.46) | ATRLDHALDHBPIK3CGPIK3CA | |
| SCHEMBL4731378 | 0.73 | PIK3CD (0.41) | ATRLDHALDHBPIK3CGPIK3CA | |
| SCHEMBL3431287 | 0.72 | MAP4K4 (0.49) | PIK3CD | |
| SCHEMBL4728065 | 0.72 | ATR (0.44) | ATRLDHALDHBPIK3CGPIK3CA | |
| SCHEMBL4332449 | 0.71 | MAOA (0.47) | — | |
| SCHEMBL631424 | 0.69 | MAOB (0.42) | — | |
| SCHEMBL4783563 | 0.69 | PRKCI (0.49) | — | |
| SCHEMBL4727676 | 0.69 | CYP4F2 (0.44) | — | |
| SCHEMBL21751417 | 0.68 | ATR (0.42) | ATRLDHALDHBNEK2PRKDC |
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 |
|---|---|---|---|---|---|---|---|
| US-7704995-B2 | Protein kinase modulators and methods of use | EXELIXIS, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| WO-2008038010-A1 | PYRAZINE DERIVATIVES AND THEIR USE IN THERAPY | VERNALIS (R & D) LIMITED (GB) | 2008-04-03 | — | — | WO | disclosed |