Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 14/20 | 0.84 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.64 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.64 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.62 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.62 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.62 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.62 |
| ▸ | PRKDC | P78527 | 1/20 | 0.62 |
| ▸ | FYN | P06241 | 8/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | LCK | P06239 | 5/20 | 0.57 |
| ▸ | ITK | Q08881 | 3/20 | 0.57 |
| ▸ | BMX | P51813 | 3/20 | 0.57 |
| ▸ | EGFR | P00533 | 2/20 | 0.57 |
| ▸ | JAK3 | P52333 | 2/20 | 0.57 |
| ▸ | LYN | P07948 | 5/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28407363 | 0.92 | BTK (0.89) | BTKNUDT14NUDT5PIK3CDPIK3CA | |
| SCHEMBL28412033 | 0.92 | BTK (1.00) | BTKNUDT14NUDT5PIK3CDPIK3CA | |
| SCHEMBL28416537 | 0.91 | BTK (0.86) | BTKNUDT14NUDT5PIK3CDPIK3CA | |
| SCHEMBL13840179 | 0.90 | PIK3CD (0.71) | BTKPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL28412026 | 0.90 | BTK (0.84) | BTKNUDT14NUDT5PIK3CDPIK3CA | |
| SCHEMBL28421619 | 0.87 | BTK (0.77) | BTKNUDT14NUDT5PIK3CDPIK3CA | |
| SCHEMBL28421621 | 0.87 | BTK (0.80) | BTKNUDT14NUDT5PIK3CDPIK3CA | |
| SCHEMBL28409289 | 0.87 | BTK (0.80) | BTKNUDT14NUDT5PIK3CDPIK3CA | |
| SCHEMBL28415217 | 0.87 | BTK (0.80) | BTKNUDT14NUDT5PIK3CDPIK3CA | |
| SCHEMBL28408475 | 0.85 | BTK (0.77) | BTKNUDT14NUDT5PIK3CDPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111196813-B | 1,3, 4-trisubstituted pyrazolopyrimidine compound as well as preparation method and application thereof | 山东大学 | 2021-10-26 | — | — | CN | disclosed |
| CN-111196813-A | 1,3, 4-trisubstituted pyrazolopyrimidine compound as well as preparation method and application thereof | 山东大学 | 2020-05-26 | — | — | CN | disclosed |