Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GSK3B | P49841 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL30162983 | 0.86 | RXRA (0.45) | KDM4EGSK3BLMNARXRARXRB | |
| SCHEMBL30163179 | 0.86 | CHRNB2 (0.43) | KDM4ELMNARXRARXRBRXRG | |
| SCHEMBL30163041 | 0.86 | PLAT (0.42) | LMNARXRARXRBRXRGALDH1A1 | |
| SCHEMBL30163156 | 0.84 | KDM4E (0.42) | KDM4EGSK3BLMNARXRARXRB | |
| SCHEMBL29218321 | 0.84 | KDM4E (0.42) | KDM4EGSK3BLMNARXRARXRB | |
| SCHEMBL30163097 | 0.84 | GSK3B (0.46) | KDM4EGSK3BLMNAALDH1A1MAPT | |
| SCHEMBL29218263 | 0.84 | GSK3B (0.46) | KDM4EGSK3BLMNAALDH1A1MAPT | |
| SCHEMBL30163104 | 0.83 | RXRA (0.43) | KDM4ELMNARXRARXRBRXRG | |
| SCHEMBL29218302 | 0.83 | RXRA (0.43) | KDM4ELMNARXRARXRBRXRG | |
| SCHEMBL5413224 | 0.79 | RXRA (0.54) | LMNARXRARXRBRXRGALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4377306-A1 | ROCK2 INHIBITORS AND USES THEREOF | President and Fellows of Harvard College (US) | 2024-06-05 | — | — | EP | disclosed |
| CN-118055926-A | ROCK2 inhibitors and uses thereof | 哈佛大学的校长及成员们 | 2024-05-17 | — | — | CN | disclosed |
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |