Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CKS1B | P61024 | 1/20 | 0.34 |
| ▸ | SKP1 | P63208 | 1/20 | 0.34 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | PDE6D | O43924 | 1/20 | 0.33 |
| ▸ | HRAS | P01112 | 1/20 | 0.33 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8273638 | 0.91 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1RPS6KB1HDAC3HDAC1 | |
| SCHEMBL8215183 | 0.89 | CHRM4 (0.42) | RPS6KB1ADAM17 | |
| SCHEMBL8273633 | 0.87 | CKS1B (0.41) | ALDH1A1L3MBTL1RPS6KB1CKS1BSKP1 | |
| SCHEMBL8273636 | 0.86 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1RPS6KB1HDAC3HDAC1 | |
| SCHEMBL8273635 | 0.86 | CKS1B (0.37) | ALDH1A1L3MBTL1RPS6KB1CKS1BSKP1 | |
| SCHEMBL8273643 | 0.82 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1RPS6KB1HDAC3HDAC1 | |
| SCHEMBL8275791 | 0.82 | KDM4E (0.34) | ALDH1A1CKS1BSKP1SKP2KDM4E | |
| SCHEMBL8275481 | 0.82 | PIK3CB (0.43) | ALDH1A1L3MBTL1CKS1BSKP1SKP2 | |
| SCHEMBL8273641 | 0.80 | RPS6KB1 (0.39) | ALDH1A1L3MBTL1RPS6KB1CKS1BSKP1 | |
| SCHEMBL8276134 | 0.79 | ADAM17 (0.37) | ALDH1A1L3MBTL1RPS6KB1CKS1BSKP1 |
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-2005121130-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2005-12-22 | — | — | WO | disclosed |