Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 15/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 13/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30995025 | 0.88 | NOTUM (0.39) | F11KLKB1NOTUM | |
| SCHEMBL16971880 | 0.81 | F11 (0.38) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL30995046 | 0.80 | F11 (0.41) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL31174067 | 0.79 | NOTUM (0.39) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL30622090 | 0.77 | F11 (0.40) | F11KLKB1NOTUM | |
| SCHEMBL16971868 | 0.77 | NOTUM (0.39) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL30271764 | 0.77 | NOTUM (0.39) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL16971328 | 0.75 | F11 (0.37) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL30271846 | 0.75 | F11 (0.37) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL16971373 | 0.75 | F11 (0.37) | F11KLKB1CYP3A4NOTUM |
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-110845498-A | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2020-02-28 | — | — | CN | disclosed |