Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | RXRA | P19793 | 6/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 8/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28107667 | 0.83 | AR (0.42) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL21863517 | 0.73 | ALDH1A1 (0.41) | ARRXRAGRIN1GRIN2BNOTUM | |
| SCHEMBL31375544 | 0.71 | NOTUM (0.51) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL31624985 | 0.71 | NOTUM (0.47) | ARCA12CA9NOTUM | |
| SCHEMBL20181201 | 0.70 | F11 (0.42) | ARNOTUM | |
| SCHEMBL31375541 | 0.68 | NOTUM (0.44) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL28127169 | 0.67 | NOTUM (0.46) | ARCA12CA9RXRAGRIN1 | |
| SCHEMBL29168501 | 0.67 | GABRA2 (0.39) | ARNOTUM | |
| SCHEMBL25043783 | 0.66 | NOTUM (0.42) | ARRXRAGRIN1GRIN2BNOTUM | |
| SCHEMBL28975954 | 0.66 | AR (0.54) | ARGRIN2BNOTUM |
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 |