Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29218302 | 1.00 | RXRA (0.43) | RXRARXRBRXRGPIK3CAMTOR | |
| SCHEMBL30163041 | 0.86 | PLAT (0.42) | RXRARXRBRXRGPIK3CAMTOR | |
| SCHEMBL30163179 | 0.86 | CHRNB2 (0.43) | RXRARXRBRXRGPIK3CAMTOR | |
| SCHEMBL30162972 | 0.83 | KDM4E (0.45) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL30162952 | 0.83 | ALDH1A1 (0.35) | RXRARXRBRXRGPIK3CAMTOR | |
| SCHEMBL29218313 | 0.83 | ALDH1A1 (0.35) | RXRARXRBRXRGPIK3CAMTOR | |
| SCHEMBL29218317 | 0.81 | RXRA (0.40) | RXRARXRBRXRGPIK3CAMTOR | |
| SCHEMBL30162865 | 0.81 | RXRA (0.40) | RXRARXRBRXRGPIK3CAMTOR | |
| SCHEMBL5413224 | 0.79 | RXRA (0.54) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL30163129 | 0.76 | RXRA (0.41) | RXRARXRBRXRGPIK3CAMTOR |
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 |