Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11044975 | 0.83 | USP2 (0.41) | ADORA2BALDH1A1USP2CYP3A4KDM4E | |
| SCHEMBL11041337 | 0.82 | HTT (0.42) | ADORA2BALDH1A1HSD17B10ADORA2ALMNA | |
| SCHEMBL5272641 | 0.75 | USP2 (0.51) | ADORA2BALDH1A1USP2LMNAHTT | |
| SCHEMBL11668144 | 0.74 | ADORA2B (0.45) | ADORA2BALDH1A1USP2CYP3A4KDM4E | |
| SCHEMBL11041342 | 0.69 | TSHR (0.45) | ALDH1A1USP2CYP3A4HSD17B10LMNA | |
| SCHEMBL21393356 | 0.69 | MEN1 (0.56) | ADORA2BALDH1A1USP2CYP3A4ADORA2A | |
| SCHEMBL11029795 | 0.69 | ADORA2B (0.46) | ADORA2BALDH1A1USP2CYP3A4ADORA2A | |
| SCHEMBL24669059 | 0.66 | CYP3A4 (0.76) | ADORA2BALDH1A1USP2CYP3A4KDM4E | |
| SCHEMBL2948020 | 0.65 | ADORA2B (0.46) | ADORA2BALDH1A1USP2KDM4EMAPT | |
| SCHEMBL7112265 | 0.61 | ADORA2B (0.54) | ADORA2BCYP3A4ADORA2AADORA3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0075850-B1 | PHARMACEUTICAL PREPARATIONS CONTAINING VICINAL DIHYDROXYALKYL XANTHINES, PROCESS FOR THE PREPARATION OF THE XANTHINES AND THE APPROPRIATE INTERMEDIATES THEREFOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-18 | — | — | EP | claimed |