Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30898078 | 0.92 | TSHR (0.37) | CYP2D6HCAR2KEAP1NFE2L2TSHR | |
| SCHEMBL30898026 | 0.90 | TSHR (0.42) | CYP2D6HCAR2KEAP1NFE2L2TSHR | |
| SCHEMBL30898029 | 0.87 | CYP1A2 (0.41) | CYP2D6HCAR2KEAP1NFE2L2TSHR | |
| SCHEMBL30898119 | 0.85 | TSHR (0.50) | CYP2D6TSHRTNF | |
| SCHEMBL30898035 | 0.85 | HCAR2 (0.36) | HCAR2KEAP1NFE2L2TNF | |
| SCHEMBL30898063 | 0.82 | KDM1A (0.44) | CYP2D6HCAR2KEAP1NFE2L2TSHR | |
| SCHEMBL16140874 | 0.77 | HCAR2 (0.44) | HCAR2KEAP1NFE2L2TNF | |
| SCHEMBL30622827 | 0.77 | HCAR2 (0.44) | HCAR2KEAP1NFE2L2TNF | |
| SCHEMBL25300 | 0.76 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2TNF | |
| SCHEMBL25301 | 0.76 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2TNF |
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-2024083086-A1 | BICYCLIC DERIVATIVE INTEGRIN INHIBITOR | 上海如凌生物医药有限公司 | 2024-04-25 | — | — | WO | disclosed |