Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDX3X | O00571 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | ULK1 | O75385 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24933405 | 0.89 | PLAU (0.40) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL24933424 | 0.77 | HDAC3 (0.37) | DDX3XHDAC3BRAFHDAC4HDAC1 | |
| SCHEMBL24934056 | 0.77 | KDR (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24933542 | 0.76 | SMN1; SMN2 (0.43) | DDX3XHDAC3BRAFHDAC4HDAC1 | |
| SCHEMBL24933491 | 0.75 | ALDH1A1 (0.39) | DDX3XHDAC3BRAFHDAC4HDAC1 | |
| SCHEMBL24934031 | 0.75 | PLAU (0.36) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL24933976 | 0.71 | NPSR1 (0.43) | DDX3XALDH1A1NPSR1MAPTNPC1 | |
| SCHEMBL19390285 | 0.70 | ALDH1A1 (0.49) | HDAC1ALDH1A1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL8302175 | 0.70 | F2 (0.56) | DDX3XPTGS1ULK1ALDH1A1F2 | |
| SCHEMBL18687899 | 0.69 | TYK2 (0.54) | SMN1; SMN2NPC1RAB9A |
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 |