Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 4/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 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 | |
|---|---|---|---|---|
| SCHEMBL7404509 | 0.90 | MME (0.40) | MMECTSBMMP1CTSKCTSL | |
| SCHEMBL7448782 | 0.82 | CTSB (0.42) | CTSB | |
| SCHEMBL7406391 | 0.81 | CTSB (0.44) | MMECTSBMMP1CTSKCTSL | |
| SCHEMBL7409805 | 0.80 | CTSB (0.46) | MMECTSBCTSKCTSLCTSS | |
| SCHEMBL7406513 | 0.80 | MMP1 (0.42) | MMP1CTSK | |
| SCHEMBL7406281 | 0.75 | HDAC4 (0.39) | CTSBMMP1CTSK | |
| SCHEMBL5489915 | 0.74 | CTSK (0.39) | CTSBMMP1CTSKCTSLCTSS | |
| SCHEMBL16024776 | 0.73 | PSMB5 (0.40) | CTSBCTSKCTSLCTSS | |
| SCHEMBL8254105 | 0.72 | FOLH1 (0.40) | CTSBBIRC2CTSKCTSLCTSS | |
| SCHEMBL18161574 | 0.71 | CYP2D6 (0.40) | CTSBMMP1CTSKCTSLCTSS |
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-2002076968-A1 | MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES | NOVARTIS AG (CH) | 2002-10-03 | — | — | WO | disclosed |