Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.63 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8830564 | 0.84 | ADORA2B (0.53) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL8830678 | 0.84 | ADORA2A (0.47) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL25090646 | 0.83 | ADORA2B (0.63) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL8830649 | 0.83 | ADORA2A (0.47) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL8830571 | 0.81 | ADORA2B (0.56) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL25090478 | 0.80 | ADORA2B (0.64) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL10723936 | 0.78 | ADORA2B (1.00) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL25089912 | 0.77 | ADORA2A (0.74) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL25090510 | 0.77 | ADORA2A (0.61) | ADORA2AADORA2BADORA1KDM4EADORA3 | |
| SCHEMBL25089901 | 0.76 | ADORA2A (0.64) | ADORA2AADORA2BADORA1KDM4EADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| JP-5294965-A | — | — | None | — | — | JP | disclosed |
| JP-H05294965-A | NEW XANTHINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT | JAPAN ENERGY CORP | 1993-11-09 | — | — | JP | disclosed |