Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11294427 | 0.84 | EPHX2 (0.38) | EPHX2DAOHPGDGFER | |
| SCHEMBL8952584 | 0.83 | POLB (0.33) | EPHX2ALDH1A1LMNA | |
| SCHEMBL6948264 | 0.83 | EPHX2 (0.37) | EPHX2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL6421931 | 0.81 | KDM1A (0.39) | KDM4EEPHX2MEN1KMT2AALDH1A1 | |
| SCHEMBL6944697 | 0.79 | MAPT (0.37) | KDM4ENPSR1EPHX2MEN1KMT2A | |
| SCHEMBL9419703 | 0.78 | DAO (0.33) | EPHX2DAO | |
| SCHEMBL5087490 | 0.78 | DAO (0.33) | EPHX2DAO | |
| SCHEMBL8852444 | 0.78 | EPHX2 (0.33) | EPHX2DAO | |
| SCHEMBL6474547 | 0.78 | DAO (0.33) | EPHX2DAO | |
| SCHEMBL788785 | 0.78 | EPHX2 (0.34) | EPHX2GFER |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0063827-A1 | 1-Isopropyl- and 1-isobutyl-3,7-dimethyl xanthine as pharmaceutical preparations | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1982-11-03 | — | — | EP | claimed |
| EP-0063827-A1 | 1-Isopropyl- and 1-isobutyl-3,7-dimethyl xanthine as pharmaceutical preparations | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1982-11-03 | — | — | EP | disclosed |
| EP-0019165-A1 | Process for preparing 1,3,7-trialkylxanthines | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1980-11-26 | — | — | EP | disclosed |