Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 4/20 | 0.42 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | MAT2A | P31153 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24934016 | 0.84 | GAA (0.41) | L3MBTL1ALDH1A1GAAPDE4APDE4B | |
| SCHEMBL30163066 | 0.84 | GAA (0.41) | L3MBTL1ALDH1A1GAAPDE4APDE4B | |
| SCHEMBL8372488 | 0.74 | ALDH1A1 (0.66) | KHKRARGRORCL3MBTL1MAPK1 | |
| SCHEMBL5009531 | 0.66 | L3MBTL1 (0.45) | KHKRARGRORCL3MBTL1MAPK1 | |
| SCHEMBL6237284 | 0.66 | ALDH1A1 (0.67) | KHKL3MBTL1MAPK1ALDH1A1GAA | |
| SCHEMBL24933537 | 0.65 | KMT2A (0.41) | KHKL3MBTL1MAPK1ALDH1A1PDE4A | |
| SCHEMBL27854437 | 0.64 | ALDH1A1 (0.44) | KHKL3MBTL1MAPK1ALDH1A1SLC22A12 | |
| SCHEMBL12203808 | 0.63 | SMN1; SMN2 (0.61) | L3MBTL1ALDH1A1GAAALOX15POLB | |
| SCHEMBL8373357 | 0.63 | SLC16A3 (0.58) | MAPK1ALDH1A1SLC22A12ALOX15CNR2 | |
| SCHEMBL4793748 | 0.62 | RORC (0.49) | RARGRORCALDH1A1GAAADORA3 |
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 |