Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 7/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21813738 | 0.76 | TDP1 (0.44) | HDAC3HDAC1HDAC6MLYCDHDAC4 | |
| SCHEMBL4959801 | 0.75 | HDAC6 (0.43) | HDAC3HDAC1HDAC2HDAC6MLYCD | |
| SCHEMBL27718892 | 0.74 | HDAC3 (0.41) | HDAC3HDAC1HDAC2HDAC6MLYCD | |
| SCHEMBL5091808 | 0.73 | HDAC6 (0.38) | HDAC3HDAC1HDAC2HDAC6MLYCD | |
| SCHEMBL5303388 | 0.73 | GAA (0.49) | HDAC3HDAC1HDAC2EPHX1HDAC8 | |
| SCHEMBL5300228 | 0.72 | GAA (0.51) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL5300088 | 0.70 | GAA (0.45) | HDAC3HDAC1HDAC2EPHX1HDAC8 | |
| SCHEMBL4429620 | 0.69 | HDAC3 (0.50) | HDAC3HDAC1HDAC2EPHX1HDAC8 | |
| SCHEMBL3381027 | 0.66 | HDAC6 (0.53) | HDAC3HDAC1HDAC6MLYCDHDAC4 | |
| SCHEMBL8338748 | 0.66 | HDAC3 (0.47) | HDAC3HDAC1HDAC2EPHX1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2118106-A1 | PURINES AS CYSTEINE PROTEASE INHIBITORS | Glaxo Group Limited (GB) | 2009-11-18 | — | — | EP | claimed |
| WO-2008107368-A1 | PURINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-09-12 | — | — | WO | claimed |