Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 3/20 | 0.31 |
| ▸ | CASP6 | P55212 | 2/20 | 0.31 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7409096 | 0.93 | KDR (0.35) | HDAC4HDAC1KDRHDAC8HDAC3 | |
| SCHEMBL7405678 | 0.92 | KDR (0.35) | HDAC4HDAC1KDRHDAC8HDAC3 | |
| SCHEMBL7404576 | 0.92 | KDR (0.34) | HDAC4HDAC1CTSKKDRHDAC8 | |
| SCHEMBL7402840 | 0.89 | CASP3 (0.41) | CASP3CASP6CASP8 | |
| SCHEMBL7409725 | 0.82 | CASP3 (0.43) | CASP3CASP6CASP8 | |
| SCHEMBL7402816 | 0.81 | CASP3 (0.48) | CASP3CASP6CASP8 | |
| SCHEMBL7451783 | 0.81 | CASP3 (0.39) | KDRCASP3CASP6CASP8MMP8 | |
| SCHEMBL7404413 | 0.81 | CASP3 (0.40) | CASP3CASP6CASP8 | |
| SCHEMBL7405838 | 0.77 | HPGD (0.37) | HDAC4HDAC1HDAC8HDAC3HDAC7 | |
| SCHEMBL7400459 | 0.77 | MMP2 (0.44) | S1PR2S1PR1FFAR1MMP3MMP8 |
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 |