Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | BIRC3 | Q13489 | 1/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL12608408 | 0.85 | BACE1 (0.32) | CTSDBACE1HDAC4HDAC1HDAC6 | |
| SCHEMBL8048196 | 0.85 | HDAC4 (0.33) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL8054549 | 0.77 | PPIA (0.33) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL12606684 | 0.76 | — | — | |
| SCHEMBL8290718 | 0.74 | BACE1 (0.33) | CTSDBACE1 | |
| SCHEMBL12607958 | 0.73 | — | — | |
| SCHEMBL8050346 | 0.73 | CAPN2 (0.31) | BACE1 | |
| SCHEMBL12607897 | 0.71 | CTSD (0.40) | CTSDBACE1HDAC4HDAC1HDAC6 | |
| SCHEMBL16349801 | 0.70 | — | — | |
| SCHEMBL16349814 | 0.70 | — | — |
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 |