Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL6ST | P40189 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 8/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3960613 | 1.00 | IL6ST (0.49) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL14690910 | 1.00 | IL6ST (0.49) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL29589364 | 1.00 | IL6ST (0.49) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL3967160 | 1.00 | IL6ST (0.49) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL19479604 | 0.87 | IL6ST (0.47) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL3962683 | 0.87 | IL6ST (0.49) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL3960159 | 0.87 | IL6ST (0.49) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL19018653 | 0.87 | IL6ST (0.52) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL15447587 | 0.87 | IL6ST (0.47) | IL6STPPARANAAAIDH1FAAH | |
| SCHEMBL18563194 | 0.87 | IL6ST (0.47) | IL6STPPARANAAAIDH1FAAH |
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 8 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 |
| 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-108250199-B | Dihydropyridone P1 as factor XIA inhibitor | 百时美施贵宝公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-107849026-B | Factor XIA macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties | 百时美施贵宝公司 | 2021-01-01 | — | — | CN | disclosed |
| 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 |
| EP-3392249-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2018-10-24 | — | — | EP | disclosed |