Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.66 |
| ▸ | HTR1A | P08908 | 1/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 1/20 | 0.65 |
| ▸ | PDE4A | P27815 | 1/20 | 0.65 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.65 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305619 | 1.00 | ADORA2A (0.66) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7314391 | 0.89 | ADORA2A (0.76) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7314398 | 0.89 | ADORA2A (0.76) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7305220 | 0.88 | ADORA2A (0.68) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7305214 | 0.88 | ADORA2A (0.68) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7306191 | 0.85 | ADORA2A (0.81) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7306200 | 0.85 | ADORA2A (0.81) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7305390 | 0.85 | ADORA2A (0.70) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7305383 | 0.85 | ADORA2A (0.70) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7307851 | 0.84 | ADORA2A (0.72) | ADORA2AHTR1AADORA3CYP2C9MAOB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628311-B1 | Xanthine-Derivatives as Antidepressants | KYOWA HAKKO KOGYO KK (JP) | 2002-04-24 | — | — | EP | disclosed |
| US-5587378-A | ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| US-5543415-A | ADMINISTERING A XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-08-06 | — | — | US | disclosed |
| US-5484920-A | XANTHINE DERIVATIVES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0628311-A1 | ANTIDEPRESSANT | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-12-14 | — | — | EP | disclosed |
| EP-0590919-A1 | Therapeutic agents for parkinson's disease | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-04-06 | — | — | EP | disclosed |