Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | PRF1 | P14222 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3640566 | 0.78 | LMNA (0.39) | CDC25BGABRG2GABRB3GABRA5TSHR | |
| SCHEMBL3640565 | 0.77 | KCNH2 (0.34) | CDC25BGABRG2GABRB3GABRA5CYP1A2 | |
| SCHEMBL31060463 | 0.77 | KCNH2 (0.34) | CDC25BGABRG2GABRB3GABRA5CYP1A2 | |
| SCHEMBL29620470 | 0.77 | ADAM17 (0.34) | CDC25BGABRG2GABRB3GABRA5 | |
| SCHEMBL25463276 | 0.73 | KMT2A (0.38) | PRF1PARP1LRRK2 | |
| SCHEMBL289293 | 0.71 | BRD4 (0.41) | PRF1CLK4PARP1LRRK2HSD17B10 | |
| SCHEMBL12573365 | 0.70 | ADAM17 (0.48) | CDC25BPARP1BRD4CREBBP | |
| SCHEMBL29431445 | 0.70 | ADAM17 (0.48) | CDC25BPARP1BRD4CREBBP | |
| SCHEMBL3993096 | 0.70 | CDC25B (0.34) | CDC25BGABRG2GABRB3GABRA5CYP1A2 | |
| SCHEMBL15803236 | 0.69 | PRF1 (0.35) | PRF1CYP3A4LRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021121282-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS WITH IMMUNOMODULATORY FUNCTION | 上海轶诺药业有限公司 | 2021-06-24 | — | — | WO | disclosed |
| WO-2020024997-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION | 上海轶诺药业有限公司 | 2020-02-06 | — | — | WO | disclosed |