Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 9/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28357092 | 0.83 | NOTUM (0.37) | NOTUMKDM4EMAPTKCNH2P2RX7 | |
| SCHEMBL16971964 | 0.81 | NOTUM (0.45) | NOTUMKDM4EMAPTKCNH2P2RX7 | |
| SCHEMBL28360269 | 0.80 | NOTUM (0.36) | NOTUMKDM4EMAPTKCNH2P2RX7 | |
| SCHEMBL14611001 | 0.77 | NOTUM (0.56) | NOTUMKDM4EMAPTKCNH2P2RX7 | |
| SCHEMBL13183572 | 0.72 | NOTUM (0.59) | NOTUMMAPTFLT3RXRAGRIN1 | |
| SCHEMBL13183643 | 0.70 | ESRRA (0.52) | NOTUMKCNH2FLT3 | |
| SCHEMBL28949305 | 0.70 | CYP1A2 (0.45) | NOTUM | |
| SCHEMBL12179482 | 0.69 | MIF (0.53) | NOTUMMAPT | |
| SCHEMBL2683483 | 0.69 | FLT3 (0.50) | NOTUMFLT3RAB9ARXRAGRIN1 | |
| SCHEMBL28364004 | 0.69 | NOTUM (0.59) | NOTUM |
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 3 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-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 |