Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 6/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406391 | 0.87 | CTSB (0.44) | CTSBCTSKMMECYP2D6CTSL | |
| SCHEMBL7412892 | 0.80 | MME (0.39) | CTSBCTSKMMECYP2D6CTSL | |
| SCHEMBL5489915 | 0.80 | CTSK (0.39) | CTSBCTSKCYP2D6CTSLCTSS | |
| SCHEMBL7404509 | 0.78 | MME (0.40) | CTSBCTSKMMECYP2D6CTSL | |
| SCHEMBL13626035 | 0.75 | CTSK (0.46) | CTSKCYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16900131 | 0.72 | CTSK (0.46) | CTSKCYP2D6 | |
| SCHEMBL3498624 | 0.72 | CTSK (0.62) | CTSKCYP2D6 | |
| SCHEMBL28907829 | 0.72 | CTSK (0.62) | CTSKCYP2D6 | |
| SCHEMBL1261148 | 0.72 | CTSK (0.62) | CTSKCYP2D6 | |
| SCHEMBL9659753 | 0.72 | MMP8 (0.38) | CTSBCTSKCYP1A2CYP2C9CYP2C19 |
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 |