Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.62 |
| ▸ | HTR1A | P08908 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 1/20 | 0.62 |
| ▸ | PDE4A | P27815 | 1/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310644 | 1.00 | ADORA2A (0.62) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL30632570 | 1.00 | ADORA2A (0.62) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL25420900 | 0.93 | ADORA2A (0.55) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL25420899 | 0.93 | ADORA2A (0.55) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL25418866 | 0.92 | ADORA2A (0.54) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL25418861 | 0.92 | ADORA2A (0.54) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7293213 | 0.92 | ADORA2A (0.54) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7293204 | 0.92 | ADORA2A (0.54) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7307480 | 0.92 | ADORA2A (0.52) | ADORA2AHTR1AADORA3CYP2C9MAOB | |
| SCHEMBL7307489 | 0.92 | ADORA2A (0.52) | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117088882-A | Method for preparing high-purity itraconazole intermediate | 山东新华制药股份有限公司 | 2023-11-21 | — | — | CN | claimed |
| JP-6211856-A | — | — | None | — | — | JP | disclosed |
| CN-117820241-A | Preparation method of itraconazole intermediate | 宜昌天仁药业有限责任公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-117088882-A | Method for preparing high-purity itraconazole intermediate | 山东新华制药股份有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-117088882-A | Method for preparing high-purity itraconazole intermediate | 山东新华制药股份有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-117024428-A | Novel method for synthesizing itratheophylline | 山东新华制药股份有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-108864096-B | Istradefylline bulk drug and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2020-05-05 | — | — | CN | disclosed |
| CN-104262342-B | Preparation method of istradefylline intermediate | 南京恒道医药科技有限公司 | 2019-01-29 | — | — | CN | disclosed |
| WO-2007047293-A1 | ADENOSINE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS | SCHERING CORPORATION (US) | 2007-04-26 | — | — | WO | disclosed |
| EP-0628311-B1 | Xanthine-Derivatives as Antidepressants | KYOWA HAKKO KOGYO KK (JP) | 2002-04-24 | — | — | EP | disclosed |
| EP-0590919-B1 | Therapeutic agents for parkinson's disease | KYOWA HAKKO KOGYO KK (JP) | 1999-12-29 | — | — | 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 |
| JP-H06211856-A | ANITIPARKINOSONISM AGENT | KYOWA HAKKO KOGYO CO LTD | 1994-08-02 | — | — | JP | disclosed |
| EP-0590919-A1 | Therapeutic agents for parkinson's disease | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-04-06 | — | — | EP | disclosed |