Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 2/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30163081 | 0.88 | RXRA (0.43) | RXRARXRBRXRGALDH1A1POLB | |
| SCHEMBL30162970 | 0.84 | MCL1 (0.39) | RXRARXRBRXRGABCG2ABL1 | |
| SCHEMBL29218251 | 0.84 | MCL1 (0.39) | RXRARXRBRXRGABCG2ABL1 | |
| SCHEMBL30162865 | 0.82 | RXRA (0.40) | RXRARXRBRXRGIRAK4ALDH1A1 | |
| SCHEMBL29218317 | 0.82 | RXRA (0.40) | RXRARXRBRXRGIRAK4ALDH1A1 | |
| SCHEMBL29218215 | 0.81 | RXRA (0.41) | RXRARXRBRXRG | |
| SCHEMBL30162841 | 0.81 | RXRA (0.41) | RXRARXRBRXRG | |
| SCHEMBL29218262 | 0.78 | RXRA (0.40) | RXRARXRBRXRG | |
| SCHEMBL30163121 | 0.78 | RXRA (0.40) | RXRARXRBRXRG | |
| SCHEMBL30162968 | 0.78 | RXRA (0.33) | RXRARXRBRXRGCYP1A2HPGD |
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 |