Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30774987 | 1.00 | SYK (0.45) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30775005 | 0.90 | SYK (0.48) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29134663 | 0.90 | SYK (0.48) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29135024 | 0.87 | CYP2C19 (0.48) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30774992 | 0.87 | CYP2C19 (0.48) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29135028 | 0.85 | CCNA2 (0.38) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30774989 | 0.85 | CCNA2 (0.38) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30774990 | 0.81 | CYP2C19 (0.50) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29135023 | 0.81 | CYP2C19 (0.50) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15688460 | 0.78 | SYK (0.72) | SYKAURKAGSK3AGSK3BALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117343017-A | Halogenated diaryl pyrimidine compound containing biaryl structure, and preparation method and application thereof | 四川大学 | 2024-01-05 | — | — | CN | disclosed |