Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.72 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.72 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.67 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.67 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.67 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | PDE1A | P54750 | 4/20 | 0.59 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.59 |
| ▸ | PDE1C | Q14123 | 4/20 | 0.59 |
| ▸ | PDE2A | O00408 | 3/20 | 0.59 |
| ▸ | PDE5A | O76074 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7270700 | 0.84 | ADORA2A (1.00) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| SCHEMBL8709754 | 0.81 | ADORA1 (0.83) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| Rolofylline SCHEMBL720438 | 0.80 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| SCHEMBL8704620 | 0.80 | ADORA1 (0.81) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| SCHEMBL7269103 | 0.79 | ADORA1 (0.81) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| SCHEMBL14051422 | 0.78 | ADORA1 (0.91) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| SCHEMBL7270718 | 0.78 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| Rolofylline SCHEMBL13414105 | 0.76 | ADORA1 (0.86) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| Rolofylline SCHEMBL13414143 | 0.75 | ADORA1 (0.78) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 | |
| SCHEMBL7270716 | 0.75 | ADORA1 (0.82) | ADORA1ADORA3ADORA2AADORA2BSLC6A3 |
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 |