Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL7412028 | 0.81 | REN (0.38) | RENHDAC4HDAC1HDAC3HDAC7 | |
| SCHEMBL7412037 | 0.81 | REN (0.38) | RENHDAC4HDAC1HDAC3HDAC7 | |
| SCHEMBL7412858 | 0.79 | CASP1 (0.40) | MMP8PSMB5CASP1CASP3CASP6 | |
| SCHEMBL7409752 | 0.77 | MMP3 (0.40) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL7406281 | 0.76 | HDAC4 (0.39) | RENHDAC4HDAC1HDAC3HDAC7 | |
| SCHEMBL7401088 | 0.76 | REN (0.36) | RENHDAC4HDAC1HDAC3HDAC7 | |
| SCHEMBL7401090 | 0.76 | REN (0.36) | RENHDAC4HDAC1HDAC3HDAC7 | |
| SCHEMBL7401092 | 0.76 | REN (0.36) | RENHDAC4HDAC1HDAC3HDAC7 | |
| SCHEMBL7408148 | 0.73 | MMP3 (0.44) | MMP8CASP1SIRT5MMP13MMP3 | |
| SCHEMBL7406574 | 0.73 | CASP3 (0.52) | MMP8CASP3CASP7CASP6CASP8 |
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 |