Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STING1 | Q86WV6 | 6/20 | 0.51 |
| ▸ | BRD4 | O60885 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 3/20 | 0.49 |
| ▸ | GNRHR | P30968 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30163735 | 1.00 | STING1 (0.51) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30163648 | 0.89 | TLR8 (0.57) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24845226 | 0.89 | TLR8 (0.57) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29155051 | 0.87 | BRD4 (0.57) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30163694 | 0.86 | STING1 (0.55) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24845338 | 0.86 | STING1 (0.55) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19448947 | 0.86 | STING1 (0.66) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29867887 | 0.86 | STING1 (0.66) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL29619889 | 0.85 | STING1 (0.65) | STING1BRD4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30163612 | 0.82 | STING1 (0.46) | STING1BRD4CYP3A4CYP2D6CYP2C9 |
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-117561262-A | Macrocyclic TAK1 inhibitors | 阿奎利恩有限公司 | 2024-02-13 | — | — | CN | disclosed |
| WO-2023275199-A1 | MACROCYCLIC TAK1 INHIBITORS | AQILION AB (SE) | 2023-01-05 | — | — | WO | disclosed |