Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ULK1 | O75385 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19291990 | 0.92 | ROCK1 (0.43) | ROCK1CYP3A4ROCK2CTSCSRC | |
| SCHEMBL254410 | 0.92 | ROCK1 (0.41) | ROCK1CYP3A4SRCKDM4EALDH1A1 | |
| SCHEMBL19291933 | 0.91 | ROCK1 (0.41) | ROCK1CYP3A4ROCK2CTSCSRC | |
| SCHEMBL19291986 | 0.90 | ROCK1 (0.43) | ROCK1CYP3A4ROCK2CTSCSRC | |
| SCHEMBL19291985 | 0.88 | ROCK1 (0.43) | ROCK1CYP3A4ROCK2SRCITGB3 | |
| SCHEMBL12782558 | 0.85 | ROCK1 (0.40) | ROCK1CYP3A4SRCKDM4EALDH1A1 | |
| SCHEMBL19291988 | 0.85 | ROCK1 (0.45) | ROCK1CYP3A4ROCK2CTSCSRC | |
| SCHEMBL19291997 | 0.85 | SRC (0.54) | ROCK1CYP3A4ROCK2SRCITGB3 | |
| SCHEMBL254932 | 0.83 | ROCK1 (0.43) | ROCK1CYP3A4SRCKDM4EALDH1A1 | |
| SCHEMBL19291940 | 0.83 | SRC (0.43) | ROCK1CYP3A4ROCK2CTSCSRC |
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-2558085-B1 | COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER | ATHENEX INC (US) | 2017-08-30 | — | — | EP | disclosed |
| WO-2008127728-A1 | BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE | KINEX PHARMACEUTICALS, LLC (US) | 2008-10-23 | — | — | WO | disclosed |