Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.70 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.70 |
| ▸ | HTR1A | P08908 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | MAOB | P27338 | 1/20 | 0.70 |
| ▸ | PDE4A | P27815 | 1/20 | 0.70 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.70 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304216 | 1.00 | ADORA2A (0.79) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7541563 | 0.91 | ADORA2A (0.70) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7541578 | 0.91 | ADORA2A (0.70) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7305359 | 0.89 | ADORA2A (0.85) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7305368 | 0.89 | ADORA2A (0.85) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL30237461 | 0.89 | ADORA2A (1.00) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7289463 | 0.89 | ADORA2A (1.00) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7289476 | 0.89 | ADORA2A (1.00) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7303427 | 0.87 | ADORA2A (0.70) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7303433 | 0.87 | ADORA2A (0.70) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113248505-B | Preparation method of istradefylline for removing methyl impurities | 南京安杰新生物医药有限公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-113248505-A | Preparation method of istradefylline for removing methyl impurities | 南京安杰新生物医药有限公司 | 2021-08-13 | — | — | CN | disclosed |
| 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 |