Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 9/20 | 0.35 |
| ▸ | CASP7 | P55210 | 9/20 | 0.35 |
| ▸ | CASP9 | P55211 | 1/20 | 0.35 |
| ▸ | ARG1 | P05089 | 2/20 | 0.33 |
| ▸ | ARG2 | P78540 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL1644148 | 1.00 | HDAC8 (0.36) | HDAC8HDAC6HDAC1KCNH2HRH3 | |
| SCHEMBL1644189 | 1.00 | HDAC8 (0.36) | HDAC8HDAC6HDAC1KCNH2HRH3 | |
| SCHEMBL1647204 | 0.77 | PSEN1 (0.39) | KCNH2 | |
| SCHEMBL8981710 | 0.75 | HDAC8 (0.38) | HDAC8HDAC6HDAC1KCNH2CASP3 | |
| SCHEMBL14252713 | 0.75 | HDAC8 (0.38) | HDAC8HDAC6HDAC1KCNH2CASP3 | |
| SCHEMBL8981701 | 0.75 | HDAC8 (0.38) | HDAC8HDAC6HDAC1KCNH2CASP3 | |
| SCHEMBL27722084 | 0.75 | CASP3 (0.45) | KCNH2HRH3CASP3CASP7CASP9 | |
| SCHEMBL3789004 | 0.75 | CASP3 (0.45) | KCNH2HRH3CASP3CASP7CASP9 | |
| SCHEMBL18693375 | 0.75 | CASP3 (0.45) | KCNH2HRH3CASP3CASP7CASP9 | |
| SCHEMBL12409399 | 0.73 | HDAC8 (0.43) | HDAC8HDAC6HDAC1ARG1ARG2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7829665-B2 | Macrocyclic inhibitors of hepatitis C virus replication | INTERMUNE, INC. (US) | 2010-11-09 | — | — | US | disclosed |