Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 8/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 8/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28107702 | 0.83 | AR (0.44) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL25494298 | 0.69 | CA12 (0.46) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL31375544 | 0.69 | NOTUM (0.51) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL25494293 | 0.69 | CA12 (0.45) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL17661903 | 0.68 | NOTUM (0.41) | ARNOTUM | |
| SCHEMBL25043783 | 0.66 | NOTUM (0.42) | ARRXRAGRIN1GRIN2BNOTUM | |
| SCHEMBL31375541 | 0.65 | NOTUM (0.44) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL31624985 | 0.65 | NOTUM (0.47) | ARCA12CA9NOTUMCA1 | |
| SCHEMBL21863517 | 0.64 | ALDH1A1 (0.41) | ARRXRAGRIN1GRIN2BNOTUM | |
| SCHEMBL28127169 | 0.64 | NOTUM (0.46) | ARCA12CA9RXRAGRIN1 |
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-105980384-B | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2019-11-15 | — | — | CN | disclosed |
| CN-105980384-A | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2016-09-28 | — | — | CN | disclosed |