Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 5/20 | 0.34 |
| ▸ | P2RX2 | Q9UBL9 | 5/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1099288 | 1.00 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1GAA | |
| SCHEMBL3471909 | 0.91 | ALDH1A1 (0.43) | CYP3A4ALDH1A1HPGDTDP1GAA | |
| SCHEMBL28573888 | 0.82 | CYP3A4 (0.41) | CYP3A4ALDH1A1HPGDTDP1GAA | |
| SCHEMBL6372278 | 0.79 | CYP3A4 (0.63) | CYP3A4ALDH1A1HPGDTDP1POLB | |
| SCHEMBL542663 | 0.78 | CYP3A4 (0.68) | CYP3A4ALDH1A1HPGDTDP1POLB | |
| SCHEMBL7300975 | 0.76 | GAA (0.39) | CYP3A4ALDH1A1HPGDTDP1GAA | |
| SCHEMBL11559627 | 0.76 | CYP3A4 (0.55) | CYP3A4ALDH1A1HPGDTDP1GAA | |
| SCHEMBL10449865 | 0.74 | CYP3A4 (0.47) | CYP3A4ALDH1A1HPGDTDP1GAA | |
| SCHEMBL1099873 | 0.74 | CYP3A4 (0.53) | CYP3A4ALDH1A1HPGDTDP1POLB | |
| SCHEMBL13816288 | 0.73 | GAA (0.50) | CYP3A4ALDH1A1GAAMGAMSI |
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 |
|---|---|---|---|---|---|---|---|
| EP-2393781-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |