Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 4/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 3/20 | 0.31 |
| ▸ | CD74 | P04233 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ESRRA | P11474 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2886167 | 0.81 | P2RX7 (0.52) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL3679115 | 0.78 | CA12 (0.48) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL16971964 | 0.71 | NOTUM (0.45) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL3753209 | 0.71 | HTT (0.49) | CA12CA1CA2CA9MAPT | |
| SCHEMBL15063084 | 0.70 | NOTUM (0.57) | CA12CA9NOTUMP2RX7MAOA | |
| SCHEMBL4977179 | 0.69 | BCHE (0.43) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL4972496 | 0.68 | BCHE (0.44) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL13727128 | 0.66 | RXRA (0.48) | CA12CA1CA2CA9RXRA | |
| SCHEMBL24952687 | 0.65 | CA12 (0.46) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL2885848 | 0.64 | NOTUM (0.55) | CA12CA1CA2CA9NOTUM |
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-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 |
| CN-103534253-B | Amyloid is had to the compound of affinity | NIHON MEDI-PHYSICS CO.,LTD. (JP) | 2016-02-24 | — | — | CN | disclosed |