Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528568 | 1.00 | KDM4E (0.46) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL30035898 | 1.00 | KDM4E (0.46) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL30036499 | 0.90 | ADORA2A (0.46) | ADORA2B | |
| SCHEMBL28519287 | 0.90 | ADORA2A (0.46) | ADORA2B | |
| SCHEMBL28519291 | 0.90 | ADORA2A (0.46) | ADORA2B | |
| SCHEMBL28530235 | 0.87 | KDM4E (0.42) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL30035190 | 0.87 | KDM4E (0.42) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL28530233 | 0.87 | KDM4E (0.42) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL28517567 | 0.86 | SIRT2 (0.47) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL28517569 | 0.86 | SIRT2 (0.47) | KDM4EALDH1A1CYP1A2CYP3A4HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112409360-A | Heteroaryl vinyl xanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2021-02-26 | — | — | CN | disclosed |