Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 3/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL29134663 | 1.00 | SYK (0.48) | SYKKIF11MAPKAPK2CYP2C19CYP2C9 | |
| SCHEMBL30774987 | 0.90 | SYK (0.45) | SYKKIF11MAPKAPK2CYP2C19CYP2C9 | |
| SCHEMBL29134660 | 0.90 | SYK (0.45) | SYKKIF11MAPKAPK2CYP2C19CYP2C9 | |
| SCHEMBL29135023 | 0.86 | CYP2C19 (0.50) | SYKKIF11MAPKAPK2CYP2C19CYP2C9 | |
| SCHEMBL30774990 | 0.86 | CYP2C19 (0.50) | SYKKIF11MAPKAPK2CYP2C19CYP2C9 | |
| SCHEMBL30774992 | 0.81 | CYP2C19 (0.48) | SYKCYP2C19CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL29135024 | 0.81 | CYP2C19 (0.48) | SYKCYP2C19CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL15688460 | 0.80 | SYK (0.72) | SYKALDH1A1L3MBTL1KMT2AAURKA | |
| SCHEMBL4000298 | 0.76 | ALDH1A1 (0.46) | SYKALDH1A1L3MBTL1KMT2AAURKA | |
| SCHEMBL655941 | 0.73 | SYK (0.74) | SYKAURKA |
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 |