Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1099873 | 0.90 | CYP3A4 (0.53) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL935876 | 0.79 | POLB (0.67) | ALDH1A1CYP3A4TDP1POLBL3MBTL1 | |
| SCHEMBL1100599 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL28014621 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL15501138 | 0.75 | LCK (0.51) | ALDH1A1CYP3A4HPGDTDP1L3MBTL1 | |
| SCHEMBL10985027 | 0.75 | POLB (0.47) | ALDH1A1CYP3A4TDP1POLBL3MBTL1 | |
| SCHEMBL6372278 | 0.74 | CYP3A4 (0.63) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL542663 | 0.73 | CYP3A4 (0.68) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL3471909 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HPGDTDP1POLB | |
| SCHEMBL6370898 | 0.71 | CYP3A4 (0.56) | ALDH1A1CYP3A4HPGDTDP1POLB |
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 |