Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 8/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | CTSE | P14091 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL742779 | 1.00 | CTSS (0.50) | CTSSCTSKHDAC4HDAC1HDAC6 | |
| SCHEMBL4100993 | 0.86 | CTSS (0.47) | CTSSCTSKHDAC4HDAC1HDAC6 | |
| SCHEMBL741911 | 0.86 | CTSS (0.47) | CTSSCTSKHDAC4HDAC1HDAC6 | |
| SCHEMBL12161411 | 0.84 | CTSK (0.51) | CTSSCTSKRENAAK1CA1 | |
| SCHEMBL13347448 | 0.84 | CTSK (0.48) | CTSSCTSKRENAAK1CA1 | |
| SCHEMBL2809379 | 0.84 | CTSK (0.51) | CTSSCTSKRENAAK1CA1 | |
| SCHEMBL13347447 | 0.84 | CTSK (0.48) | CTSSCTSKRENAAK1CA1 | |
| SCHEMBL7850121 | 0.84 | CTSK (0.48) | CTSSCTSKRENAAK1CA1 | |
| SCHEMBL9819679 | 0.84 | CTSS (0.57) | CTSSCTSKHDAC4HDAC1HDAC6 | |
| SCHEMBL7860628 | 0.83 | CTSK (0.47) | CTSSCTSKRENAAK1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2237793-A1 | INHIBITORS OF CATHEPSIN B | Virobay, Inc. (US) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009100225-A1 | INHIBITORS OF CATHEPSIN B | VIROBAY, INC. (US) | 2009-08-13 | — | — | WO | disclosed |
| WO-2008086053-A1 | HCV INHIBITORS | VIROBAY, INC. (US) | 2008-07-17 | — | — | WO | disclosed |