Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.45 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 7/20 | 0.38 |
| ▸ | JAK1 | P23458 | 3/20 | 0.38 |
| ▸ | F11 | P03951 | 7/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 5/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16971673 | 1.00 | NOTUM (0.45) | NOTUMKCNMA1JAK2JAK1F11 | |
| SCHEMBL16971811 | 0.86 | NOTUM (0.41) | NOTUMKCNMA1JAK2JAK1F11 | |
| SCHEMBL16971428 | 0.85 | NOTUM (0.42) | NOTUMKCNMA1JAK2JAK1F11 | |
| SCHEMBL30271742 | 0.85 | NOTUM (0.42) | NOTUMKCNMA1JAK2JAK1F11 | |
| SCHEMBL29479271 | 0.85 | F11 (0.43) | NOTUMKCNMA1F11KLKB1CYP3A4 | |
| SCHEMBL16971368 | 0.85 | F11 (0.43) | NOTUMKCNMA1F11KLKB1CYP3A4 | |
| SCHEMBL21712731 | 0.84 | NOTUM (0.45) | NOTUMKCNMA1JAK2JAK1F11 | |
| SCHEMBL24624555 | 0.83 | GPR119 (0.40) | NOTUMKCNMA1F11KLKB1 | |
| SCHEMBL30633079 | 0.83 | GABRA2 (0.42) | KCNMA1 | |
| SCHEMBL29772920 | 0.83 | GPR119 (0.40) | NOTUMKCNMA1F11KLKB1 |
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 |