Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PDE6D | O43924 | 1/20 | 0.35 |
| ▸ | HRAS | P01112 | 1/20 | 0.35 |
| ▸ | KRAS | P01116 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8273376 | 0.90 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPC1MAPTHPGD | |
| SCHEMBL8273578 | 0.90 | ADAM17 (0.39) | ALDH1A1KDM4ENPC1MAPTHPGD | |
| SCHEMBL8273374 | 0.83 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPC1MAPTHPGD | |
| SCHEMBL8273311 | 0.81 | ADAM17 (0.41) | ALDH1A1KDM4EHTTL3MBTL1HDAC3 | |
| SCHEMBL8273591 | 0.79 | ADAM17 (0.43) | ALDH1A1KDM4ENPC1MAPTHPGD | |
| SCHEMBL8273310 | 0.79 | GAA (0.44) | ALDH1A1KDM4ENPC1MAPTHPGD | |
| SCHEMBL8218112 | 0.78 | ADAM17 (0.46) | ADAM17NPY5RDPP4 | |
| SCHEMBL8273592 | 0.78 | HTT (0.46) | ALDH1A1KDM4ENPC1RAB9AHTT | |
| SCHEMBL8223463 | 0.78 | ADAM17 (0.49) | ADAM17RPS6KB1DPP4 | |
| SCHEMBL8273579 | 0.77 | CTSS (0.41) | ALDH1A1KDM4EHTTADAM17GAA |
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 |