Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.42 |
| ▸ | CCKBR | P32239 | 2/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7409945 | 0.90 | F10 (0.41) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7400459 | 0.87 | MMP2 (0.44) | ALDH1A1HPGDS1PR1MMP2MMP3 | |
| SCHEMBL7411328 | 0.84 | CASP3 (0.44) | — | |
| SCHEMBL7402346 | 0.82 | HDAC1 (0.44) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7400552 | 0.81 | MAPT (0.42) | HDAC4ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL7451783 | 0.80 | CASP3 (0.39) | MMP8 | |
| SCHEMBL7408820 | 0.80 | HDAC4 (0.53) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7404353 | 0.80 | HDAC3 (0.55) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7405678 | 0.79 | KDR (0.35) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7407960 | 0.78 | LTA4H (0.56) | HDAC8HDAC3HDAC4HDAC1HDAC7 |
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 |