Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | CCKAR | P32238 | 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 | |
|---|---|---|---|---|
| SCHEMBL6124807 | 0.93 | HDAC1 (0.36) | HDAC1HDAC8ITGB3ITGA2BHDAC4 | |
| SCHEMBL13071919 | 0.90 | HDAC1 (0.33) | HDAC1HDAC8ITGB3ITGA2BHDAC4 | |
| SCHEMBL12831634 | 0.90 | F2 (0.39) | HDAC1HDAC8ITGB3ITGA2BPLG | |
| SCHEMBL13071911 | 0.89 | HDAC1 (0.32) | HDAC1HDAC8ITGB3ITGA2BPLG | |
| SCHEMBL10166392 | 0.89 | HDAC1 (0.35) | HDAC1HDAC8ITGB3ITGA2BHDAC4 | |
| SCHEMBL6124800 | 0.89 | HDAC1 (0.36) | HDAC1HDAC8ITGB3ITGA2BHDAC4 | |
| SCHEMBL13071444 | 0.86 | ITGB3 (0.37) | HDAC1HDAC8ITGB3ITGA2BHDAC4 | |
| SCHEMBL10166019 | 0.85 | HDAC1 (0.35) | HDAC1HDAC8ITGB3ITGA2BHDAC4 | |
| SCHEMBL13071545 | 0.85 | HDAC1 (0.39) | HDAC1HDAC8ITGB3ITGA2BHDAC4 | |
| SCHEMBL13071461 | 0.85 | DPP4 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012054874-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2009142842-A9 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |