Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 18/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28672102 | 0.82 | BTK (0.57) | BTKMEN1KMT2A | |
| SCHEMBL19202625 | 0.78 | BTK (0.77) | BTK | |
| SCHEMBL19202374 | 0.78 | BTK (0.68) | BTKMEN1NPC1RAB9AKMT2A | |
| SCHEMBL19202626 | 0.77 | BTK (0.77) | BTK | |
| SCHEMBL19202370 | 0.76 | BTK (1.00) | BTK | |
| SCHEMBL20572741 | 0.64 | BTK (0.61) | BTK | |
| SCHEMBL28494192 | 0.64 | BTK (0.48) | BTK | |
| SCHEMBL19202666 | 0.63 | BTK (0.54) | BTKMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL5417481 | 0.63 | NPC1 (0.60) | MEN1NPC1RAB9AKMT2AKDM4E | |
| SCHEMBL14637116 | 0.63 | BTK (0.79) | BTK |
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-108602818-B | Pyrazole fused ring derivatives, preparation method thereof and application thereof in treating cancer, inflammation and immune diseases | 北京诺诚健华医药科技有限公司 | 2021-12-21 | — | — | CN | disclosed |