Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | PDE4A | P27815 | 3/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | HBB | P68871 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12413533 | 0.84 | ADORA2B (0.63) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL150602 | 0.75 | ADORA2B (0.59) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL9845197 | 0.73 | PDE4A (0.74) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL2917584 | 0.72 | ADORA2B (0.55) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL897035 | 0.72 | ADORA2B (0.55) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL20653044 | 0.71 | ADORA2A (0.58) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10535015 | 0.71 | ADORA2A (0.57) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL9845195 | 0.71 | ADORA2A (0.75) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL7035609 | 0.70 | ADORA2B (0.52) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| 1-Methylxanthine SCHEMBL10996 | 0.68 | ADORA2B (1.00) | ADORA2BADORA2APDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| US-6268373-B1 | ENZYME INHIBITORS | EURO-CELTIQUE S.A. (LU) | 2001-07-31 | — | — | US | disclosed |