Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | F11 | P03951 | 15/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 11/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16971868 | 1.00 | NOTUM (0.39) | NOTUMF11KLKB1KCNH2KCNMA1 | |
| SCHEMBL16971880 | 0.89 | F11 (0.38) | NOTUMF11KLKB1CYP3A4 | |
| SCHEMBL16971373 | 0.88 | F11 (0.37) | NOTUMF11KLKB1KCNH2CYP3A4 | |
| SCHEMBL16971328 | 0.88 | F11 (0.37) | NOTUMF11KLKB1KCNMA1CYP3A4 | |
| SCHEMBL30271846 | 0.88 | F11 (0.37) | NOTUMF11KLKB1KCNMA1CYP3A4 | |
| SCHEMBL29479271 | 0.80 | F11 (0.43) | NOTUMF11KLKB1KCNH2KCNMA1 | |
| SCHEMBL16971368 | 0.80 | F11 (0.43) | NOTUMF11KLKB1KCNH2KCNMA1 | |
| SCHEMBL30995025 | 0.79 | NOTUM (0.39) | NOTUMF11KLKB1KCNH2 | |
| SCHEMBL28360405 | 0.77 | F11 (0.36) | NOTUMF11KLKB1CYP3A4 | |
| SCHEMBL16971472 | 0.76 | F11 (0.40) | F11KLKB1CYP3A4 |
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 |