Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.38 |
| ▸ | LDHB | P07195 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 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 | |
|---|---|---|---|---|
| SCHEMBL3854246 | 0.86 | ROCK2 (0.43) | LDHALDHBPIK3CDPIK3CAPIK3CG | |
| SCHEMBL4251691 | 0.81 | PIK3CD (0.50) | PIK3CDPIK3CAPIK3CGPIK3CBTYRO3 | |
| SCHEMBL3852665 | 0.76 | PGK1 (0.43) | LDHALDHBTYRO3ROCK2ROCK1 | |
| SCHEMBL3460193 | 0.74 | DRD4 (0.57) | — | |
| SCHEMBL3820169 | 0.74 | DRD4 (0.57) | — | |
| SCHEMBL3462616 | 0.70 | PIK3CD (0.57) | PIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3461992 | 0.67 | DRD2 (0.62) | — | |
| SCHEMBL5258611 | 0.65 | KDM4E (0.40) | MEN1ALDH1A1KMT2A | |
| SCHEMBL3461480 | 0.63 | PIK3CD (0.57) | PIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3461741 | 0.63 | PIK3CD (0.55) | PIK3CDPIK3CAPIK3CGPIK3CB |
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 |