Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 2/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4737264 | 0.87 | HDAC6 (0.53) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL4736268 | 0.85 | HDAC6 (0.50) | HDAC1HDAC8HDAC6HDAC3KDM5B | |
| SCHEMBL5129029 | 0.83 | ITK (0.56) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL4734211 | 0.83 | HDAC1 (0.52) | HDAC1HDAC6HDAC3HDAC2ITK | |
| SCHEMBL4735968 | 0.83 | HDAC6 (0.50) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL4796231 | 0.82 | HDAC6 (0.54) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL4733952 | 0.81 | HDAC6 (0.44) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL4736580 | 0.81 | SMPD1 (0.44) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL5131169 | 0.77 | HDAC6 (0.51) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL7493650 | 0.77 | AHR (0.57) | KDM4CKDM5BLMNAKMT2ANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008061160-A1 | USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS | PHARMACYCLICS, INC. (US) | 2008-05-22 | — | — | WO | claimed |
| WO-2008061160-A1 | USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS | PHARMACYCLICS, INC. (US) | 2008-05-22 | — | — | WO | disclosed |