Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 10/20 | 0.71 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11791484 | 0.89 | HDAC8 (0.79) | HDAC8HDAC6KDM4EEGLN2HDAC1 | |
| SCHEMBL279656 | 0.84 | ALDH1A1 (0.59) | ALDH1A1MAPK1SMN1; SMN2NPSR1SMYD3 | |
| SCHEMBL2422043 | 0.83 | HDAC8 (0.71) | HDAC8HDAC6ALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL4401147 | 0.81 | HDAC6 (0.62) | HDAC8HDAC6HDAC1HDAC2HSD17B10 | |
| SCHEMBL11791474 | 0.81 | HDAC8 (0.68) | HDAC8HDAC6KDM4EEGLN2HDAC1 | |
| SCHEMBL13878433 | 0.80 | KMT2A (0.76) | HDAC8HDAC6HDAC1HDAC2ALDH1A1 | |
| SCHEMBL5662781 | 0.80 | SMN1; SMN2 (0.66) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL28815725 | 0.80 | HDAC8 (0.67) | HDAC8HDAC6KDM4EEGLN2HDAC1 | |
| SCHEMBL6159657 | 0.79 | HDAC8 (0.66) | HDAC8HDAC6KDM4EEGLN2HDAC1 | |
| SCHEMBL30929655 | 0.79 | HDAC6 (1.00) | HDAC8HDAC6KDM4EEGLN2HDAC1 |
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-2013059582-A2 | SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES | NUPOTENTIAL, INC. (US) | 2013-04-25 | — | — | WO | disclosed |