Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 8/20 | 0.40 |
| ▸ | BRD2 | P25440 | 8/20 | 0.40 |
| ▸ | BRD3 | Q15059 | 8/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30163066 | 1.00 | GAA (0.41) | GAAL3MBTL1BRD4BRD2BRD3 | |
| SCHEMBL24934296 | 0.84 | KHK (0.42) | GAAL3MBTL1BRD4BRD2BRD3 | |
| SCHEMBL2677079 | 0.71 | PDE5A (0.44) | GAAL3MBTL1ALDH1A1KDM4EKMT2A | |
| SCHEMBL14333535 | 0.66 | ADORA3 (0.43) | L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL16259059 | 0.66 | SCN9A (0.38) | GAASTAT1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5565026 | 0.64 | GPR3 (0.44) | ALDH1A1KDM4E | |
| SCHEMBL31172010 | 0.64 | GPR3 (0.44) | ALDH1A1KDM4E | |
| SCHEMBL2114179 | 0.64 | KDM4E (0.38) | GAABRD4BRD2BRD3CREBBP | |
| SCHEMBL29218170 | 0.64 | FGFR1 (0.53) | SMN1; SMN2NPC1RAB9APDE4APDE4B | |
| SCHEMBL29218254 | 0.63 | HTR3E (0.37) | GAAL3MBTL1SMN1; SMN2RAB9AALDH1A1 |
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 |