Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.33 |
| ▸ | BCDIN3D | Q7Z5W3 | 7/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | IRAK1 | P51617 | 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 | |
|---|---|---|---|---|
| SCHEMBL28571392 | 0.80 | P2RX7 (0.32) | P2RX7 | |
| SCHEMBL28576952 | 0.79 | P2RX7 (0.34) | P2RX7 | |
| SCHEMBL28577549 | 0.70 | CCNT1 (0.30) | — | |
| SCHEMBL19986728 | 0.69 | — | — | |
| SCHEMBL19986641 | 0.66 | STK17A (0.37) | P2RX7MAPTHTTCDK5CDK5R1 | |
| SCHEMBL28622324 | 0.65 | MAPT (0.31) | MAPT | |
| SCHEMBL12212191 | 0.63 | KDM4E (0.37) | BCDIN3DIRAK1 | |
| SCHEMBL3232274 | 0.63 | MAPK1 (0.41) | BCDIN3D | |
| SCHEMBL6221844 | 0.63 | P2RX7 (0.43) | P2RX7 | |
| Hydrochloric Acid SCHEMBL2518801 | 0.62 | KDM4E (0.36) | BCDIN3DIRAK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429341-A | Novel capsid protein assembly inhibitors | 正大天晴药业集团股份有限公司 | 2021-09-24 | — | — | CN | disclosed |
| CN-109790123-B | Novel capsid protein assembly inhibitors | 正大天晴药业集团股份有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-109790123-A | Novel capsid protein assembles inhibitor | 正大天晴药业集团股份有限公司 | 2019-05-21 | — | — | CN | disclosed |
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |