Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.50 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | P4HB | P07237 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8259105 | 0.92 | CTSS (0.50) | CTSSCTSKPSMB8PSMB9PSMB5 | |
| SCHEMBL6038153 | 0.85 | CTSS (0.46) | CTSSCTSKPSMB8PSMB9PSMB5 | |
| SCHEMBL13128261 | 0.85 | CTSS (0.68) | CTSSCTSKCTSLCTSBPTPN1 | |
| SCHEMBL12285382 | 0.84 | PAX8 (0.51) | CTSSCTSKPSMB8PSMB9PSMB5 | |
| SCHEMBL969253 | 0.83 | PAX8 (0.53) | CTSSCTSKPSMB8PSMB9PSMB5 | |
| SCHEMBL17965074 | 0.82 | CTSS (0.71) | CTSSCTSKCTSLCTSBPTPN1 | |
| SCHEMBL16908988 | 0.82 | ACE (0.59) | CTSSCTSKPSMB8PSMB9PSMB5 | |
| SCHEMBL13702233 | 0.82 | ACE (0.59) | CTSSCTSKPSMB8PSMB9PSMB5 | |
| SCHEMBL17965094 | 0.81 | CTSS (0.69) | CTSSCTSKCTSLCTSBPTPN1 | |
| SCHEMBL17965160 | 0.81 | CTSS (0.69) | CTSSCTSKCTSLCTSBPTPN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863804-A1 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006102760-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2006-10-05 | — | — | WO | disclosed |