Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | ICMT | O60725 | 1/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28199079 | 1.00 | CES2 (0.50) | CES2CES1NAAAHPGDGAA | |
| SCHEMBL1545820 | 0.98 | HPGD (0.49) | CES2CES1NAAAHPGDGAA | |
| SCHEMBL4054017 | 0.93 | HPGD (0.54) | CES2CES1NAAAHPGDGAA | |
| SCHEMBL28973681 | 0.87 | FFAR4 (0.45) | CES2CES1NAAAHPGDGAA | |
| SCHEMBL8390583 | 0.85 | HSD17B3 (0.54) | ADRA2CALDH1A1CNR2 | |
| SCHEMBL4009982 | 0.84 | NAAA (0.51) | NAAAGAANPC1HDAC1CNR2 | |
| SCHEMBL1130569 | 0.83 | HSD17B3 (0.53) | HPGDGAAADRA2CALDH1A1 | |
| SCHEMBL19248951 | 0.83 | HDAC3 (0.56) | HDAC1HDAC6ADRA2C | |
| SCHEMBL11218379 | 0.83 | HDAC3 (0.56) | HDAC1HDAC6ADRA2C | |
| SCHEMBL8374583 | 0.83 | HPGD (0.62) | CES2CES1HPGDGAAHDAC1 |
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 | disclosed |
| WO-2008107368-A1 | PURINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-09-12 | — | — | WO | disclosed |