Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 10/20 | 0.84 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.84 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.84 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.84 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.84 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.84 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.84 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.84 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL8705276 | 0.97 | ADORA1 (0.82) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL3988171 | 0.92 | ADORA2B (0.69) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| Rolofylline SCHEMBL720438 | 0.92 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| Rolofylline SCHEMBL13414155 | 0.88 | ADORA1 (0.88) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL14051422 | 0.88 | ADORA1 (0.91) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL8707422 | 0.87 | ADORA1 (0.86) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| Rolofylline SCHEMBL13414105 | 0.87 | ADORA1 (0.86) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7270718 | 0.86 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL3917432 | 0.85 | ADORA1 (0.61) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL8705557 | 0.85 | ADORA1 (0.92) | ADORA1ADORA2AADORA2BADORA3SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0619316-B1 | Xanthine derivatives | KYOWA HAKKO KOGYO KK (JP) | 1998-08-12 | — | — | EP | disclosed |
| EP-0619316-A1 | Xanthine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-10-12 | — | — | EP | disclosed |