Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | CTSS | P25774 | 8/20 | 0.52 |
| ▸ | CTSK | P43235 | 7/20 | 0.52 |
| ▸ | CTSB | P07858 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CMA1 | P23946 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.47 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.45 |
| ▸ | REN | P00797 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29145381 | 0.92 | HDAC8 (0.53) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL24513862 | 0.92 | HDAC8 (0.53) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL29145406 | 0.89 | HDAC8 (0.52) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL29145407 | 0.89 | HDAC8 (0.52) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL11684068 | 0.88 | CTSS (0.64) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL18444615 | 0.88 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL29145404 | 0.88 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL18444614 | 0.88 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL29145382 | 0.88 | HDAC8 (0.58) | HDAC8CTSSCTSKCTSBCTSL | |
| SCHEMBL29145400 | 0.88 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2022122035-A1 | COAGULATION FACTOR XIA INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海领泰生物医药科技有限公司 | 2022-06-16 | — | — | WO | disclosed |