Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.43 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CRACR2A | Q9BSW2 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29218214 | 0.84 | ROCK2 (0.56) | ROCK2MEN1KMT2AROCK1NPC1 | |
| SCHEMBL30163154 | 0.84 | ROCK2 (0.56) | ROCK2MEN1KMT2AROCK1NPC1 | |
| SCHEMBL24934132 | 0.79 | NPC1 (0.50) | MEN1KMT2ANPC1KDM4EALDH1A1 | |
| SCHEMBL30163209 | 0.78 | ROCK2 (0.48) | ROCK2MEN1KMT2AROCK1KDM4E | |
| SCHEMBL30163061 | 0.75 | ROCK2 (0.51) | ROCK2MEN1KMT2AROCK1NPC1 | |
| SCHEMBL29218185 | 0.75 | ROCK2 (0.51) | ROCK2MEN1KMT2AROCK1NPC1 | |
| SCHEMBL17441040 | 0.73 | CLK2 (0.65) | ROCK2MEN1KMT2ATTKNPC1 | |
| SCHEMBL24934283 | 0.73 | ROCK2 (0.60) | ROCK2MEN1KMT2AROCK1NPC1 | |
| SCHEMBL24934284 | 0.72 | ROCK2 (0.55) | ROCK2MEN1KMT2AROCK1NPC1 | |
| SCHEMBL29218289 | 0.69 | NPC1 (0.46) | ROCK2ROCK1NPC1 |
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 |