Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.37 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7331362 | 0.82 | KDM4E (0.52) | ALDH1A1NR3C1ADORA3ADORA2AADORA1 | |
| SCHEMBL7332532 | 0.77 | MAOA (0.50) | ALDH1A1NR3C1ADORA3ADORA2AADORA1 | |
| SCHEMBL8442820 | 0.74 | ENPP1 (0.61) | ALDH1A1ENPP3ENPP1GRM2ADORA1 | |
| SCHEMBL7328414 | 0.73 | RXFP1 (0.50) | ALDH1A1NR3C1ADORA3ADORA2AADORA1 | |
| SCHEMBL7332774 | 0.73 | PDE5A (0.41) | GRM2ADORA2AADORA1 | |
| SCHEMBL7428137 | 0.69 | NR3C1 (0.46) | ALDH1A1NR3C1ADORA3ADORA2AADORA1 | |
| SCHEMBL18070761 | 0.68 | GRM2 (0.51) | GRM2KDM4E | |
| SCHEMBL15228801 | 0.68 | ALDH1A1 (0.45) | ALDH1A1ENPP3ENPP1GRM2KDM4E | |
| SCHEMBL13612893 | 0.67 | ADORA3 (0.40) | ALDH1A1NR3C1ADORA3ADORA2AADORA1 | |
| SCHEMBL7332950 | 0.67 | ADORA2A (0.38) | NR3C1ADORA3ADORA2AADORA1PDE10A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5942520-A | Method for inhibiting neoplastic cells by exposure to substituted N-cycloalkylmethyl-1-H-pyrazolo (3,4-B) quinolone-4 amines | CELL PATHWAYS, INC. (US) | 1999-08-24 | — | — | US | disclosed |
| US-5488055-A | ADMINISTERING GMP HOSPHODIESTERASE INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND CARDIOVASCULAR DISORDERS | SANOFI WINTHROP INC. (US) | 1996-01-30 | — | — | US | disclosed |