Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 10/20 | 0.35 |
| ▸ | P2RX2 | Q9UBL9 | 10/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL1099288 | 0.91 | CYP3A4 (0.50) | ALDH1A1CYP3A4HPGDTDP1GAA | |
| SCHEMBL3471609 | 0.91 | CYP3A4 (0.50) | ALDH1A1CYP3A4HPGDTDP1GAA | |
| SCHEMBL1099448 | 0.80 | GAA (0.55) | ALDH1A1CYP3A4TDP1GAAPOLB | |
| SCHEMBL28014621 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDTDP1GAA | |
| SCHEMBL28573888 | 0.75 | CYP3A4 (0.41) | ALDH1A1CYP3A4HPGDTDP1GAA | |
| SCHEMBL3478142 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL29631745 | 0.71 | GAA (0.58) | ALDH1A1CYP3A4HPGDTDP1GAA | |
| SCHEMBL6372278 | 0.71 | CYP3A4 (0.63) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL542663 | 0.71 | CYP3A4 (0.68) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL20755697 | 0.69 | P2RX3 (0.55) | ALDH1A1GAAPOLBGFERP2RX3 |
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 |