Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.50 |
| ▸ | USP2 | O75604 | 9/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14840209 | 0.89 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL16494861 | 0.89 | PAK4 (0.44) | PAK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16494981 | 0.87 | PAK4 (0.56) | PAK4MAPK1HTR2ALMNAMAPT | |
| SCHEMBL2598574 | 0.87 | PAK4 (0.54) | PAK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16495080 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL16494903 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL16494750 | 0.83 | IP6K1 (0.47) | PAK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16494138 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL16494205 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL2598494 | 0.80 | PAK4 (0.54) | PAK4CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2395001-A1 | Novel pyrimidine derivatives | Chemilia AB (SE) | 2011-12-14 | — | — | EP | disclosed |