Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 14/20 | 0.43 |
| ▸ | KLK1 | P06870 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MARS1 | P56192 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29227914 | 0.82 | F11 (0.48) | F11KLK1 | |
| SCHEMBL30995034 | 0.82 | F11 (0.48) | F11KLK1 | |
| SCHEMBL29589409 | 0.81 | NOTUM (0.39) | F11NOTUMKLKB1 | |
| SCHEMBL28360881 | 0.81 | NOTUM (0.39) | F11NOTUMKLKB1 | |
| SCHEMBL16971881 | 0.77 | F11 (0.43) | F11KLK1F2NOTUMALDH1A1 | |
| SCHEMBL16971695 | 0.76 | F11 (0.39) | F11F2NOTUMKLKB1 | |
| SCHEMBL29958128 | 0.74 | NOTUM (0.53) | F11KLK1F2NOTUMALDH1A1 | |
| SCHEMBL3009848 | 0.74 | NOTUM (0.53) | F11KLK1F2NOTUMALDH1A1 | |
| SCHEMBL30995006 | 0.74 | ALDH1A1 (0.49) | F11KLK1F2NOTUMALDH1A1 | |
| SCHEMBL17479508 | 0.74 | MARS1 (0.48) | F11KLK1F2NOTUMALDH1A1 |
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-B | Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-02-17 | — | — | CN | disclosed |