Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.54 |
| ▸ | CTSK | P43235 | 4/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.54 |
| ▸ | CTSB | P07858 | 1/20 | 0.54 |
| ▸ | AXL | P30530 | 2/20 | 0.38 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | EZH2 | Q15910 | 4/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | EZH1 | Q92800 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3165021 | 0.93 | CTSS (0.54) | CTSSCTSKCTSLCTSBAXL | |
| SCHEMBL3164990 | 0.92 | CTSS (0.62) | CTSSCTSKCTSLCTSBAXL | |
| SCHEMBL14142807 | 0.92 | CTSS (0.53) | CTSSCTSKCTSLCTSBAXL | |
| SCHEMBL14142812 | 0.89 | CTSS (0.53) | CTSSCTSKCTSLCTSBAXL | |
| Trifluoroacetic Acid SCHEMBL3174495 | 0.88 | CTSS (0.49) | CTSSCTSKCTSLCTSBAXL | |
| Trifluoroacetic Acid SCHEMBL3165545 | 0.88 | CTSS (0.57) | CTSSCTSKCTSLCTSBAXL | |
| SCHEMBL3169493 | 0.86 | CTSS (0.58) | CTSSCTSKCTSLCTSBAXL | |
| SCHEMBL3174467 | 0.86 | CTSS (0.58) | CTSSCTSKCTSLCTSBAXL | |
| SCHEMBL3165989 | 0.86 | CTSS (0.66) | CTSSCTSKCTSLCTSBTBK1 | |
| SCHEMBL3176619 | 0.86 | CTSS (0.68) | CTSSCTSKCTSLCTSBKDM4E |
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-2008052934-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-05-08 | — | — | WO | disclosed |