Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL4560753 | 0.85 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL9964974 | 0.85 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL9937009 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL4561364 | 0.75 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL4744827 | 0.74 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL26228926 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL6461121 | 0.73 | AHR (0.50) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL1920877 | 0.72 | HTT (0.50) | CYP1A2CYP3A4KDM4EMAPTMEN1 | |
| SCHEMBL21765582 | 0.71 | MAPT (0.54) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL13494711 | 0.71 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19KDM4EMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012065062-A1 | NOVEL ANTIVIRAL COMPOUNDS | PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) | 2012-05-18 | — | — | WO | disclosed |