Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.38 |
| ▸ | TUBB | P07437 | 2/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.38 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.38 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.38 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.38 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL253864 | 0.92 | ROCK1 (0.43) | ROCK1CYP3A4SRCTUBB4ATUBB | |
| SCHEMBL19291993 | 0.90 | ROCK1 (0.45) | ROCK1CYP3A4SRCROCK2TUBB4A | |
| SCHEMBL19291988 | 0.89 | ROCK1 (0.45) | ROCK1CYP3A4SRCROCK2TUBB4A | |
| SCHEMBL14047243 | 0.88 | ROCK1 (0.42) | ROCK1CYP3A4SRCROCK2TUBB4A | |
| SCHEMBL19291990 | 0.88 | ROCK1 (0.43) | ROCK1CYP3A4SRCROCK2TUBB4A | |
| SCHEMBL12782547 | 0.85 | ROCK1 (0.42) | ROCK1CYP3A4SRCTUBB4ATUBB | |
| SCHEMBL19291997 | 0.85 | SRC (0.54) | ROCK1CYP3A4SRCROCK2TUBB4A | |
| SCHEMBL10169296 | 0.84 | ROCK1 (0.42) | ROCK1CYP3A4SRCTUBB4ATUBB | |
| SCHEMBL255076 | 0.82 | SRC (0.43) | ROCK1CYP3A4SRCTUBB4ATUBB | |
| SCHEMBL19291987 | 0.81 | SRC (0.40) | ROCK1CYP3A4SRCROCK2TUBB4A |
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 1 patent. 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 |