Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 11/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | PDE6D | O43924 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE6A | P16499 | 1/20 | 0.33 |
| ▸ | PDE6G | P18545 | 1/20 | 0.33 |
| ▸ | PDE6B | P35913 | 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 | |
|---|---|---|---|---|
| SCHEMBL4850527 | 0.75 | GSK3B (0.51) | GSK3BALDH1A1SMN1; SMN2ADORA3ADORA2A | |
| SCHEMBL4859153 | 0.75 | GSK3B (0.51) | GSK3BALDH1A1SMN1; SMN2ADORA3ADORA2A | |
| SCHEMBL4849243 | 0.74 | POLB (0.46) | GSK3BALDH1A1ADORA3ADORA2AADORA2B | |
| SCHEMBL4911917 | 0.74 | GSK3B (0.38) | GSK3BALDH1A1SMN1; SMN2ADORA3ADORA2A | |
| SCHEMBL4851255 | 0.73 | ALDH1A1 (0.40) | GSK3BALDH1A1ADORA3ADORA2AADORA2B | |
| SCHEMBL4849212 | 0.72 | POLB (0.38) | GSK3BALDH1A1ADORA3ADORA2AADORA2B | |
| SCHEMBL14263905 | 0.72 | HPGD (0.37) | GSK3BALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL4911932 | 0.71 | PPARG (0.45) | GSK3B | |
| SCHEMBL4850688 | 0.71 | SMN1; SMN2 (0.38) | GSK3BALDH1A1SMN1; SMN2MAPTHPGD | |
| SCHEMBL4858357 | 0.71 | MAPT (0.35) | GSK3BALDH1A1MEN1MAPTHPGD |
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-2002081454-A1 | DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2002-10-17 | — | — | WO | disclosed |