Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.32 |
| ▸ | SYK | P43405 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 5/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29218268 | 1.00 | RXRA (0.42) | RXRARXRBRXRGPIK3CAPRKDC | |
| SCHEMBL29218317 | 0.86 | RXRA (0.40) | RXRARXRBRXRGPIK3CAPRKDC | |
| SCHEMBL30162865 | 0.86 | RXRA (0.40) | RXRARXRBRXRGPIK3CAPRKDC | |
| SCHEMBL30163039 | 0.82 | RXRA (0.42) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL29218355 | 0.82 | RXRA (0.42) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL30163081 | 0.81 | RXRA (0.43) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL30162982 | 0.76 | RXRA (0.58) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL5401611 | 0.76 | RXRA (0.58) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL30162983 | 0.76 | RXRA (0.45) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL21198456 | 0.71 | RXRA (0.49) | RXRARXRBRXRGALDH1A1LMNA |
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 |