Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15540703 | 0.97 | EPHX1 (0.50) | EPHX1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL1512806 | 0.94 | — | — | |
| SCHEMBL27945455 | 0.80 | EPHX1 (0.50) | EPHX1SMN1; SMN2MAPTKDM4EEPHX2 | |
| SCHEMBL28138206 | 0.80 | ALDH1A1 (0.33) | EPHX1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL22991205 | 0.79 | EPHX1 (0.42) | EPHX1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL25978974 | 0.79 | SMN1; SMN2 (0.42) | EPHX1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL27706683 | 0.79 | SMN1; SMN2 (0.42) | EPHX1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL16611327 | 0.77 | HDAC3 (0.35) | ALDH1A1MAPTMAPK1 | |
| SCHEMBL24514487 | 0.77 | EPHX1 (0.46) | EPHX1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL141382 | 0.77 | EPHX1 (0.46) | EPHX1SMN1; SMN2NPC1RAB9AALDH1A1 |
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 5 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 |
| CN-1777608-A | fused pyrimidine derivatives | KYOWA HAKKO KOGYO KK (JP) | 2006-05-24 | — | — | CN | disclosed |