Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | CTSS | P25774 | 7/20 | 0.46 |
| ▸ | CTSK | P43235 | 6/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28218600 | 1.00 | HDAC8 (0.52) | HDAC8CTSSCTSKITGB3ITGB1 | |
| SCHEMBL18474862 | 0.92 | HDAC8 (0.55) | HDAC8CTSSCTSKITGB3ITGB1 | |
| SCHEMBL18474863 | 0.92 | HDAC8 (0.55) | HDAC8CTSSCTSKITGB3ITGB1 | |
| SCHEMBL18444069 | 0.88 | HDAC8 (0.57) | HDAC8CTSSCTSKITGB3ITGB1 | |
| SCHEMBL18444068 | 0.88 | HDAC8 (0.57) | HDAC8CTSSCTSKITGB3ITGB1 | |
| SCHEMBL21387282 | 0.85 | HDAC8 (0.57) | HDAC8CTSSCTSKITGB3ITGB1 | |
| SCHEMBL6802912 | 0.84 | HDAC8 (0.69) | HDAC8CTSSCTSKITGB3ITGB1 | |
| SCHEMBL3006410 | 0.84 | HDAC8 (0.63) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL6802920 | 0.84 | HDAC8 (0.69) | HDAC8CTSSCTSKITGB3ITGB1 | |
| SCHEMBL3006406 | 0.84 | HDAC8 (0.63) | 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-108137549-A | FXIA inhibitor derived from novel substituted glycine | 百时美施贵宝公司 | 2018-06-08 | — | — | CN | disclosed |