Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 19/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15533388 | 0.72 | DPP4 (0.47) | DPP4 | |
| SCHEMBL15533861 | 0.70 | DPP4 (0.43) | DPP4KCNH2 | |
| SCHEMBL15533174 | 0.69 | DPP4 (0.53) | DPP4CHRM1KCNH2 | |
| SCHEMBL160189 | 0.69 | DPP4 (0.53) | DPP4CHRM1KCNH2 | |
| SCHEMBL7533607 | 0.69 | DPP4 (0.36) | DPP4CHRM1KCNH2 | |
| SCHEMBL15091721 | 0.67 | DPP4 (0.34) | DPP4 | |
| SCHEMBL27944319 | 0.66 | DPP4 (0.40) | DPP4CHRM1 | |
| SCHEMBL27600222 | 0.62 | TSHR (0.39) | DPP4KCNH2 | |
| SCHEMBL6674520 | 0.61 | DPP4 (0.42) | CYP2D6DPP4KCNH2 | |
| SCHEMBL555775 | 0.57 | ATM (0.35) | DPP4CHRM1KCNH2 |
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-108299436-B | Xanthine compound and pharmaceutical composition and application thereof | 上海慈瑞医药科技股份有限公司 | 2020-01-17 | — | — | CN | claimed |
| CN-108299436-B | Xanthine compound and pharmaceutical composition and application thereof | 上海慈瑞医药科技股份有限公司 | 2020-01-17 | — | — | CN | disclosed |