Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 5/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1129053 | 0.81 | NPC1 (0.45) | NPC1RAB9ACCNB2CDK1CCNB1 | |
| SCHEMBL6031259 | 0.77 | NPC1 (0.47) | NPC1RAB9AHRH4 | |
| SCHEMBL1128996 | 0.77 | NPC1 (0.44) | NPC1RAB9AGCGRHRH4 | |
| SCHEMBL1128497 | 0.71 | NPC1 (0.45) | NPC1RAB9A | |
| SCHEMBL1129303 | 0.70 | EIF4A3 (0.34) | NPC1RAB9AGCGR | |
| SCHEMBL15808370 | 0.70 | NPC1 (0.44) | NPC1RAB9A | |
| SCHEMBL6843925 | 0.69 | NPC1 (0.50) | NPC1RAB9A | |
| SCHEMBL24338057 | 0.69 | — | — | |
| SCHEMBL12110238 | 0.69 | LMNA (0.37) | CCNB2CDK1CCNB1CCNB3GSK3A | |
| SCHEMBL1128920 | 0.69 | NPC1 (0.46) | NPC1RAB9A |
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-2282762-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | Intermune, Inc. (US) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |
| EP-1633722-A2 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | Bayer Pharmaceuticals Corporation (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004100881-A2 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-11-25 | — | — | WO | disclosed |