Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 8/20 | 0.79 |
| ▸ | PDE4A | P27815 | 13/20 | 0.66 |
| ▸ | PDE4B | Q07343 | 13/20 | 0.66 |
| ▸ | PDE4C | Q08493 | 13/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 13/20 | 0.66 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30568370 | 0.94 | TNF (0.88) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7741608 | 0.94 | TNF (0.88) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30568371 | 0.94 | TNF (0.88) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23000632 | 0.87 | TNF (0.75) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6098123 | 0.87 | TNF (0.75) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23000615 | 0.87 | TNF (0.75) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL825659 | 0.86 | TNF (0.74) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7433881 | 0.83 | TNF (0.68) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21494496 | 0.82 | TNF (0.87) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21494520 | 0.82 | TNF (0.87) | TNFPDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019201255-A1 | ISOINDOLE DERIVATIVE | 天津合美医药科技有限公司 | 2019-10-24 | — | — | WO | disclosed |