Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 6/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 2/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16971474 | 1.00 | F11 (0.38) | F11NOTUMKLKB1P4HTMJAK2 | |
| SCHEMBL29479271 | 0.88 | F11 (0.43) | F11NOTUMKLKB1KCNMA1KCNH2 | |
| SCHEMBL16971368 | 0.88 | F11 (0.43) | F11NOTUMKLKB1KCNMA1KCNH2 | |
| SCHEMBL16971811 | 0.87 | NOTUM (0.41) | F11NOTUMKLKB1JAK2JAK1 | |
| SCHEMBL30271754 | 0.84 | F11 (0.41) | F11NOTUMKLKB1P4HTMJAK2 | |
| SCHEMBL16971396 | 0.84 | F11 (0.41) | F11NOTUMKLKB1P4HTMJAK2 | |
| SCHEMBL16971865 | 0.82 | NOTUM (0.39) | F11NOTUMKLKB1JAK2JAK1 | |
| SCHEMBL16971836 | 0.82 | NOTUM (0.38) | F11NOTUMKLKB1KCNMA1KMO | |
| SCHEMBL16971576 | 0.81 | NOTUM (0.41) | F11NOTUMKLKB1JAK2JAK1 | |
| SCHEMBL16971389 | 0.81 | NOTUM (0.60) | NOTUMKCNMA1KCNH2 |
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-116987080-A | Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-110845498-B | Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-02-17 | — | — | CN | disclosed |