Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 10/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 10/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.49 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29362987 | 0.93 | HDAC4 (0.51) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL7408820 | 0.93 | HDAC4 (0.53) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL29362635 | 0.93 | HDAC4 (0.51) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL7404353 | 0.91 | HDAC3 (0.55) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL29359921 | 0.90 | HDAC4 (0.49) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL29361609 | 0.90 | SIRT2 (0.58) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL29357780 | 0.88 | HDAC4 (0.52) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL29360748 | 0.88 | MMP8 (0.53) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL29362438 | 0.88 | MMP8 (0.53) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL29361729 | 0.88 | MMP8 (0.53) | HDAC4HDAC1HDAC3HDAC7HDAC2 |
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 |