Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 6/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 1/20 | 0.40 |
| ▸ | ADH1A | P07327 | 1/20 | 0.40 |
| ▸ | ADH4 | P08319 | 1/20 | 0.40 |
| ▸ | ADH7 | P40394 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8338748 | 0.78 | HDAC3 (0.47) | HDAC3HDAC1HDAC2CYP2D6EPHX1 | |
| SCHEMBL25871125 | 0.77 | EPHX1 (0.66) | HDAC3HDAC1HDAC2CYP2D6EPHX1 | |
| SCHEMBL25873829 | 0.77 | EPHX1 (0.66) | HDAC3HDAC1HDAC2CYP2D6EPHX1 | |
| SCHEMBL3133945 | 0.76 | CYP2D6 (0.77) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL2839524 | 0.74 | CYP2D6 (0.81) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL11084899 | 0.74 | CYP2D6 (0.81) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL8395181 | 0.74 | CYP2D6 (0.81) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL18849498 | 0.72 | ADH1B (0.52) | HDAC3HDAC1HDAC2CYP2D6EPHX1 | |
| SCHEMBL8396255 | 0.71 | — | — | |
| SCHEMBL5303388 | 0.71 | GAA (0.49) | 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 4 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 |
| EP-2118106-A1 | PURINES AS CYSTEINE PROTEASE INHIBITORS | Glaxo Group Limited (GB) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008107368-A1 | PURINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-09-12 | — | — | WO | disclosed |