Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.64 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 5/20 | 0.46 |
| ▸ | TUBB | P07437 | 5/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 5/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 5/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 5/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 5/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 5/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 5/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 5/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 5/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 5/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 5/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 5/20 | 0.46 |
| ▸ | TUBB2B | Q9BVA1 | 5/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 5/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30163149 | 1.00 | ROCK2 (0.64) | ROCK2EGFRTUBB4ATUBBTUBA3C | |
| SCHEMBL24933417 | 0.81 | ROCK2 (0.63) | ROCK2EGFRMKNK1ROCK1KDM4E | |
| SCHEMBL30162955 | 0.81 | ROCK2 (0.63) | ROCK2EGFRMKNK1ROCK1KDM4E | |
| SCHEMBL24933409 | 0.81 | ROCK2 (0.63) | ROCK2EGFRMKNK1ROCK1KDM4E | |
| SCHEMBL30162922 | 0.81 | ROCK2 (0.63) | ROCK2EGFRMKNK1ROCK1KDM4E | |
| SCHEMBL24933421 | 0.80 | ROCK2 (0.59) | ROCK2EGFRMKNK1ROCK1KDM4E | |
| SCHEMBL30999874 | 0.80 | ROCK2 (0.59) | ROCK2EGFRMKNK1ROCK1KDM4E | |
| SCHEMBL18114539 | 0.80 | ROCK2 (0.67) | ROCK2ROCK1MAPKAPK2 | |
| SCHEMBL24934131 | 0.79 | ROCK2 (0.45) | ROCK2ROCK1 | |
| SCHEMBL30162816 | 0.79 | ROCK2 (0.45) | ROCK2ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |