Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | CTSS | P25774 | 8/20 | 0.48 |
| ▸ | CTSK | P43235 | 7/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.42 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL29145407 | 1.00 | HDAC8 (0.52) | HDAC8CTSSCTSKCTSBCMA1 | |
| SCHEMBL24513868 | 0.93 | HDAC8 (0.49) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL24514101 | 0.90 | HDAC8 (0.50) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL29663604 | 0.89 | HDAC8 (0.56) | HDAC8CTSSCTSKCTSBCMA1 | |
| SCHEMBL18444615 | 0.84 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCMA1 | |
| SCHEMBL29145382 | 0.84 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL11684068 | 0.84 | CTSS (0.64) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL18444614 | 0.84 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCMA1 | |
| SCHEMBL29145379 | 0.84 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL29145404 | 0.84 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCTSL |
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-117480164-A | Factor XIa inhibitor and preparation method and application thereof | 上海领泰生物医药科技有限公司 | 2024-01-30 | — | — | CN | disclosed |