Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | HCK | P08631 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 2/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.40 |
| ▸ | MST1R | Q04912 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27527182 | 0.84 | SMN1; SMN2 (0.50) | ALDH1A1MAP4K4MAPK8ABCB1MEN1 | |
| SCHEMBL27527185 | 0.84 | MAPK1 (0.45) | ALDH1A1KDRABL1PIK3CDEGFR | |
| SCHEMBL8792379 | 0.84 | MAPT (0.45) | ALDH1A1MAPTMEN1KMT2ASYK | |
| SCHEMBL8793485 | 0.82 | PDE4D (0.41) | ALDH1A1ABL1PIK3CDEGFRPIK3CA | |
| SCHEMBL27374463 | 0.81 | KDR (0.46) | KDRABL1PIK3CDEGFRHCK | |
| SCHEMBL27580682 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAP4K4AURKAMKNK2MAOA | |
| SCHEMBL16119989 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KDRABL1MAP4K4CLK4 | |
| SCHEMBL8792187 | 0.79 | MGMT (0.42) | MAP4K4GSK3AGSK3BMAPTPOLB | |
| SCHEMBL8792107 | 0.79 | DYRK1A (0.46) | PIK3CGMAP4K4CLK4MAOBLMNA | |
| SCHEMBL8662385 | 0.78 | ABCC8 (0.43) | ALDH1A1MAPTABCB1ABCC1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1250776-A | Heterodicyclic compound derivatives | FUJISAWA PHARMACEUTICAL CO (JP) | 2000-04-19 | — | — | CN | disclosed |
| CN-1051548-C | Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use | FUJISAWA PHARMACEUTICAL CO (JP) | 2000-04-19 | — | — | CN | disclosed |
| CN-1157617-A | Heterobicyclic derivatives | FUJISAWA PHARMACEUTICAL CO (JP) | 1997-08-20 | — | — | CN | disclosed |