Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 16/20 | 0.66 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | BACE1 | P56817 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 4/20 | 0.54 |
| ▸ | LCK | P06239 | 4/20 | 0.54 |
| ▸ | ITK | Q08881 | 3/20 | 0.54 |
| ▸ | JAK3 | P52333 | 2/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.51 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.49 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.49 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.49 |
| ▸ | PRKDC | P78527 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28411398 | 0.92 | BTK (0.56) | BTKACHEBACE1EGFRLCK | |
| SCHEMBL28409182 | 0.88 | BTK (0.69) | BTKEGFRLCKITKJAK3 | |
| SCHEMBL28407032 | 0.85 | BTK (0.66) | BTKEGFRLCKITKJAK3 | |
| SCHEMBL28890946 | 0.85 | BTK (0.65) | BTKACHEBACE1EGFRLCK | |
| SCHEMBL28412173 | 0.85 | BTK (0.57) | BTKEGFRLCKITKJAK3 | |
| SCHEMBL28412056 | 0.84 | BTK (0.64) | BTKEGFRLCKITKJAK3 | |
| SCHEMBL28412028 | 0.83 | BTK (0.62) | BTKACHEBACE1EGFRLCK | |
| SCHEMBL28409250 | 0.83 | BTK (0.62) | BTKEGFRLCKITKJAK3 | |
| SCHEMBL28415210 | 0.83 | BTK (0.62) | BTKEGFRLCKITKJAK3 | |
| SCHEMBL28468967 | 0.82 | BTK (0.65) | BTKEGFRLCKITKJAK3 |
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 |