Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PDE5A | O76074 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PDE1A | P54750 | 1/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9646588 | 0.87 | CYP3A4 (0.41) | KDM4EALDH1A1MEN1KMT2APDE5A | |
| SCHEMBL9645114 | 0.86 | ADORA2A (0.49) | CYP3A4CYP2C19BLMADORA2APDE4A | |
| SCHEMBL4796596 | 0.86 | PDE1A (0.46) | KDM4EALDH1A1MEN1KMT2APDE5A | |
| SCHEMBL4623653 | 0.85 | PDE5A (0.43) | KDM4EALDH1A1MEN1KMT2APDE5A | |
| SCHEMBL9645577 | 0.85 | ADORA2A (0.55) | BLMADORA2APDE4APDE4BPDE4C | |
| SCHEMBL3848060 | 0.85 | ADORA2A (0.57) | ALDH1A1MEN1KMT2ABLMADORA2A | |
| SCHEMBL7007230 | 0.83 | MEN1 (0.50) | KDM4EALDH1A1MEN1KMT2APDE5A | |
| SCHEMBL4622180 | 0.82 | ADORA2A (0.48) | CYP3A4CYP2C19ADORA2APDE4APDE4B | |
| SCHEMBL9645161 | 0.81 | ADORA2A (0.54) | BLMADORA2APDE4APDE4BPDE4C | |
| SCHEMBL3990423 | 0.80 | ADORA1 (0.54) | BLMADORA2APDE4APDE4BPDE4C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0256692-B1 | 6-THIOXANTHINES | Euroceltique S.A. (LU) | 1992-09-16 | — | — | EP | disclosed |
| US-5010081-A | Bronchodilator agents | EUROCELTIQUE, S.A. (LU) | 1991-04-23 | — | — | US | disclosed |
| US-4925847-A | BRONCHODILATORS | EUROCELTIQUE, S.A. (LU) | 1990-05-15 | — | — | US | disclosed |
| EP-0256692-A2 | 6-Thioxanthines | Euroceltique S.A. (LU) | 1988-02-24 | — | — | EP | disclosed |