Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7402346 | 0.89 | HDAC1 (0.44) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7409694 | 0.86 | MMP2 (0.42) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7410624 | 0.85 | HDAC4 (0.41) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7406759 | 0.83 | MMP2 (0.41) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7408851 | 0.83 | MMP2 (0.41) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7406281 | 0.81 | HDAC4 (0.39) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7409752 | 0.81 | MMP3 (0.40) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7409945 | 0.78 | F10 (0.41) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7407508 | 0.77 | MMP3 (0.40) | HDAC1HDAC4HDAC2HDAC8HDAC3 | |
| SCHEMBL7406513 | 0.76 | MMP1 (0.42) | HDAC1HDAC4HDAC2HDAC8HDAC3 |
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 |