Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 8/20 | 0.61 |
| ▸ | EGFR | P00533 | 2/20 | 0.61 |
| ▸ | LCK | P06239 | 2/20 | 0.61 |
| ▸ | JAK3 | P52333 | 2/20 | 0.61 |
| ▸ | ITK | Q08881 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.57 |
| ▸ | MTOR | P42345 | 6/20 | 0.57 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.54 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.53 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.52 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28927671 | 1.00 | BTK (0.61) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL29201401 | 0.99 | BTK (0.61) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL30172745 | 0.97 | BTK (0.62) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL28927570 | 0.97 | BTK (0.62) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL30172740 | 0.93 | BTK (0.64) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL28927604 | 0.93 | BTK (0.64) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL28469313 | 0.90 | HDAC1 (0.71) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL28476170 | 0.89 | HDAC1 (0.69) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL28477160 | 0.86 | BTK (0.66) | BTKEGFRLCKJAK3ITK | |
| SCHEMBL28473150 | 0.82 | BTK (0.68) | BTKEGFRLCKJAK3ITK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115572297-A | O-phenylenediamine derivative containing pyrazolopyrimidine and preparation method and application thereof | 山东大学 | 2023-01-06 | — | — | CN | claimed |
| CN-115572297-B | Pyrazolopyrimidine-containing o-phenylenediamine derivative, and preparation method and application thereof | 山东大学 | 2024-04-26 | — | — | CN | disclosed |
| CN-115572297-A | O-phenylenediamine derivative containing pyrazolopyrimidine and preparation method and application thereof | 山东大学 | 2023-01-06 | — | — | CN | disclosed |