Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.81 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.81 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.81 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.81 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.81 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.81 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.81 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14051422 | 0.94 | ADORA1 (0.91) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| Rolofylline SCHEMBL720438 | 0.89 | ADORA1 (1.00) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| SCHEMBL7270718 | 0.87 | ADORA1 (1.00) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| Rolofylline SCHEMBL13414143 | 0.86 | ADORA1 (0.78) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| SCHEMBL8251392 | 0.86 | ADORA2A (0.64) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| Rolofylline SCHEMBL13414105 | 0.85 | ADORA1 (0.86) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| Rolofylline SCHEMBL13414155 | 0.84 | ADORA1 (0.88) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| SCHEMBL9427364 | 0.84 | ADORA1 (0.71) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| SCHEMBL8705276 | 0.83 | ADORA1 (0.82) | ADORA1ADORA2BADORA2AADORA3SLC6A3 | |
| SCHEMBL8705557 | 0.83 | ADORA1 (0.92) | ADORA1ADORA2BADORA2AADORA3SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0415456-B1 | Xanthine compounds | KYOWA HAKKO KOGYO KK (JP) | 1996-06-26 | — | — | EP | disclosed |
| US-5525607-A | DIURETICS, BRONCHODILATORS, RENAL PROTECTING AGENTS | KYOWA HAKKO KOGYO CO., LTD (JP) | 1996-06-11 | — | — | US | disclosed |
| US-5290782-A | Bronchodilator agents, diuretics for renal protective agents | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-03-01 | — | — | US | disclosed |
| EP-0415456-A2 | Xanthine compounds | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |