Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 19/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 17/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL29589409 | 0.85 | NOTUM (0.39) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL28360881 | 0.85 | NOTUM (0.39) | F11KLKB1CYP3A4NOTUM | |
| SCHEMBL30622131 | 0.79 | NOTUM (0.36) | F11NOTUM | |
| SCHEMBL16971418 | 0.79 | F11 (0.40) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30995054 | 0.78 | F11 (0.44) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL29227918 | 0.78 | F11 (0.44) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30271787 | 0.76 | F11 (0.43) | F11KLKB1F2NOTUM | |
| SCHEMBL29227919 | 0.76 | F11 (0.44) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL31252199 | 0.76 | F11 (0.42) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL20336037 | 0.75 | F11 (0.42) | F11KLKB1CYP3A4F2F10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114957255-A | Pyrimidinones as factor XIA inhibitors | 百时美施贵宝公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-110734435-B | Pyrimidinones as factor XIA inhibitors | 百时美施贵宝公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-110734435-A | Pyrimidinones as factor XIA inhibitors | 百时美施贵宝公司 | 2020-01-31 | — | — | CN | disclosed |
| EP-3099687-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-12-07 | — | — | EP | disclosed |
| WO-2015116886-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | WO | disclosed |