Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 2/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP10 | P09238 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL7404576 | 0.94 | KDR (0.34) | KDRHDAC4HDAC1CASP3CASP6 | |
| SCHEMBL7410069 | 0.93 | HDAC4 (0.33) | KDRHDAC4HDAC1CASP3CASP6 | |
| SCHEMBL7405678 | 0.93 | KDR (0.35) | KDRHDAC4HDAC1HDAC3HDAC7 | |
| SCHEMBL7409725 | 0.89 | CASP3 (0.43) | CASP3CASP6CASP8 | |
| SCHEMBL7404413 | 0.83 | CASP3 (0.40) | CASP3CASP6CASP8 | |
| SCHEMBL7402840 | 0.82 | CASP3 (0.41) | CASP3CASP6CASP8 | |
| SCHEMBL7451783 | 0.82 | CASP3 (0.39) | KDRCASP3CASP6CASP8MMP8 | |
| SCHEMBL7403799 | 0.82 | CASP3 (0.49) | CASP3CASP6CASP8 | |
| SCHEMBL7404112 | 0.80 | CASP3 (0.48) | CASP3CASP6CASP8 | |
| SCHEMBL7405838 | 0.79 | HPGD (0.37) | HDAC4HDAC1CASP3CASP6CASP8 |
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 |