Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.63 |
| ▸ | CDC7 | O00311 | 1/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MECP2 | P51608 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30162922 | 1.00 | ROCK2 (0.63) | ROCK2CDC7CCNE1CDK2DBF4 | |
| SCHEMBL30163149 | 0.81 | ROCK2 (0.64) | ROCK2EGFRMKNK1ROCK1KDM4E | |
| SCHEMBL24933421 | 0.81 | ROCK2 (0.59) | ROCK2CDC7EGFRKDRMKNK1 | |
| SCHEMBL24933412 | 0.81 | ROCK2 (0.64) | ROCK2EGFRMKNK1ROCK1KDM4E | |
| SCHEMBL30999874 | 0.81 | ROCK2 (0.59) | ROCK2CDC7EGFRKDRMKNK1 | |
| SCHEMBL24933417 | 0.77 | ROCK2 (0.63) | ROCK2CDK2EGFRKDRMKNK1 | |
| SCHEMBL20023285 | 0.77 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL30162955 | 0.77 | ROCK2 (0.63) | ROCK2CDK2EGFRKDRMKNK1 | |
| SCHEMBL7097584 | 0.77 | MECP2 (0.51) | KDRMECP2KDM4EMEN1GAA | |
| SCHEMBL24933425 | 0.76 | ROCK1 (0.59) | ROCK2ROCK1KDM4ERAB9A |
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 |