Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28336838 | 0.86 | ADORA2B (0.53) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL28334646 | 0.78 | ADORA2A (0.53) | ADORA2BADORA2AADORA1ALDH1A1MAPK1 | |
| SCHEMBL7304074 | 0.73 | SIRT1 (0.48) | SIRT1SIRT3SIRT5 | |
| SCHEMBL7304080 | 0.73 | SIRT1 (0.48) | SIRT1SIRT3SIRT5 | |
| SCHEMBL28532419 | 0.70 | ADORA2B (0.63) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL30437680 | 0.70 | ADORA2B (0.63) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL1321894 | 0.68 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL7283645 | 0.67 | — | — | |
| SCHEMBL7283640 | 0.67 | — | — | |
| SCHEMBL30438337 | 0.67 | ADORA2A (0.45) | ADORA2BADORA2AADORA1CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563729-A | Polysubstituted xanthines and their use as A2A receptor antagonists | 山东新华制药股份有限公司 | 2019-12-13 | — | — | CN | claimed |
| CN-110563729-A | Polysubstituted xanthines and their use as A2A receptor antagonists | 山东新华制药股份有限公司 | 2019-12-13 | — | — | CN | disclosed |