Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN2 | P17655 | 4/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GRB2 | P62993 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | BIRC3 | Q13489 | 3/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8290325 | 0.87 | ADAM17 (0.39) | ADAM17F2F10PRSS1GAA | |
| SCHEMBL8290330 | 0.87 | CAPN2 (0.37) | CAPN2ADAM17F2F10PRSS1 | |
| SCHEMBL8035850 | 0.85 | ADAM17 (0.37) | ADAM17CCR2BIRC3BACE1MMP9 | |
| SCHEMBL13685390 | 0.84 | ADAM17 (0.34) | CAPN2ADAM17GAACCR2BACE1 | |
| SCHEMBL8289459 | 0.83 | ADAM17 (0.35) | ADAM17F2F10PRSS1GRB2 | |
| SCHEMBL8291408 | 0.82 | ADAM17 (0.38) | ADAM17CCR2BIRC3MMP9 | |
| SCHEMBL12606588 | 0.74 | GAA (0.37) | CAPN2F2F10PRSS1GAA | |
| SCHEMBL13685460 | 0.73 | ADAM17 (0.38) | ADAM17MMP9 | |
| SCHEMBL13685473 | 0.73 | ADAM17 (0.35) | CAPN2ADAM17GAAMMP9 | |
| SCHEMBL13685396 | 0.72 | ADAM17 (0.37) | ADAM17CCR2BACE1MMP9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |