Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPIA | P62937 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 8/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.32 |
| ▸ | 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 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL8048196 | 0.87 | HDAC4 (0.33) | PPIAHDAC4HDAC1HDAC6HDAC3 | |
| SCHEMBL12856032 | 0.86 | PPIA (0.38) | PPIAHDAC4HDAC1 | |
| SCHEMBL8290717 | 0.85 | — | — | |
| SCHEMBL8291408 | 0.80 | ADAM17 (0.38) | MMP1MMP3MMP9MMP8 | |
| SCHEMBL8290722 | 0.77 | CTSD (0.34) | HDAC4HDAC1HDAC6HDAC3HDAC7 | |
| SCHEMBL8291503 | 0.76 | F2 (0.41) | HDAC4HDAC1HDAC6HDAC3 | |
| SCHEMBL8290718 | 0.73 | BACE1 (0.33) | — | |
| SCHEMBL8291498 | 0.72 | GAA (0.32) | — | |
| SCHEMBL8290411 | 0.72 | GAA (0.32) | — | |
| SCHEMBL12607958 | 0.72 | — | — |
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-2009058856-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2009-05-07 | — | — | WO | disclosed |