Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25090480 | 0.71 | ALDH1A1 (0.64) | ADORA1ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL25089896 | 0.71 | ALDH1A1 (0.62) | ADORA1ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL23145941 | 0.70 | ALDH1A1 (0.41) | ADORA1ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL2119734 | 0.69 | KDM4E (0.72) | ADORA1ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL515588 | 0.69 | KDM4E (0.76) | ADORA1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL8830756 | 0.68 | ADORA2B (0.57) | ADORA1ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL25090647 | 0.68 | KDM4E (0.62) | ADORA1ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL8830622 | 0.67 | ADORA2B (0.56) | ADORA1ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL10614178 | 0.67 | KDM4E (1.00) | ADORA1ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL20652968 | 0.67 | ADORA1 (0.53) | ADORA1ALDH1A1KDM4EHPGDTDP1 |
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-114727983-A | Xanthine CB1 inhibitors | 金翅雀生物公司 | 2022-07-08 | — | — | CN | disclosed |