Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 4/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.33 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TYK2 | P29597 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310202 | 0.89 | PLK4 (0.38) | MAP4K1METJAK2PIK3CAKDM4E | |
| SCHEMBL24310587 | 0.89 | FLT3 (0.37) | MAP4K1JAK3PIM1MAPK8 | |
| SCHEMBL24310548 | 0.86 | PLK4 (0.36) | MAP4K1METPIK3CAKDM4EALDH1A1 | |
| SCHEMBL24310347 | 0.84 | GPR39 (0.39) | KDM4EALDH1A1 | |
| SCHEMBL24310563 | 0.84 | HPGD (0.31) | — | |
| SCHEMBL24310172 | 0.84 | MAP4K1 (0.36) | MAP4K1 | |
| SCHEMBL26812335 | 0.83 | JAK2 (0.36) | MAP4K1IRAK1JAK2JAK3DCLK1 | |
| SCHEMBL24310126 | 0.82 | AURKA (0.36) | MAP4K1ALDH1A1 | |
| SCHEMBL24310142 | 0.82 | GPR39 (0.30) | — | |
| SCHEMBL24309516 | 0.82 | FLT3 (0.35) | METMAPK8PDE3BPDE3A |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |