Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 4/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.32 |
| ▸ | SLC18A2 | Q05940 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 2/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25302877 | 1.00 | RIPK1 (0.35) | RIPK1ESR1ESR2PIK3R1PIK3CA | |
| SCHEMBL25838463 | 0.89 | RIPK1 (0.34) | RIPK1ESR1ESR2PIK3R1PIK3CA | |
| SCHEMBL30491452 | 0.89 | BAZ2B (0.39) | BAZ2B | |
| SCHEMBL30491431 | 0.85 | AKR1C3 (0.33) | BAZ2B | |
| SCHEMBL25305291 | 0.85 | AKR1C3 (0.36) | DRD2DRD3 | |
| SCHEMBL25305296 | 0.85 | AKR1C3 (0.36) | DRD2DRD3 | |
| SCHEMBL25303656 | 0.83 | CGAS (0.46) | SLC18A2NAMPT | |
| SCHEMBL30491427 | 0.83 | PRMT5 (0.33) | PIK3CADRD2DRD3 | |
| SCHEMBL25299917 | 0.83 | — | — | |
| SCHEMBL25303659 | 0.83 | CGAS (0.46) | SLC18A2NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |
| WO-2022184152-A1 | FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-09-09 | — | — | WO | disclosed |