Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | MMP10 | P09238 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406281 | 0.95 | HDAC4 (0.39) | MMP3HDAC4HDAC1SIRT5HDAC3 | |
| SCHEMBL7408148 | 0.91 | MMP3 (0.44) | MMP3SIRT5CTNNB1MMP2CTSB | |
| SCHEMBL7407508 | 0.91 | MMP3 (0.40) | MMP3HDAC4HDAC1SIRT5HDAC3 | |
| SCHEMBL7406513 | 0.88 | MMP1 (0.42) | HDAC4HDAC1CTNNB1HDAC3HDAC7 | |
| SCHEMBL7414049 | 0.87 | CASP1 (0.40) | MMP3CTNNB1MMP2CTSBMMP8 | |
| SCHEMBL7412858 | 0.86 | CASP1 (0.40) | MMP3CTNNB1CTSBMMP8CASP1 | |
| SCHEMBL7412028 | 0.84 | REN (0.38) | HDAC4HDAC1SIRT5CTNNB1HDAC3 | |
| SCHEMBL7412037 | 0.84 | REN (0.38) | HDAC4HDAC1SIRT5CTNNB1HDAC3 | |
| SCHEMBL7411983 | 0.84 | CTNNB1 (0.46) | MMP3HDAC1CTNNB1CASP1 | |
| SCHEMBL7411854 | 0.84 | CASP1 (0.42) | MMP3SIRT5CTNNB1MMP2CTSB |
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 |