Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6957831 | 0.92 | GSK3B (0.30) | MAPK14 | |
| SCHEMBL6972343 | 0.90 | IDO1 (0.36) | MAPTLMNAGRM2ALDH1A1 | |
| SCHEMBL7086009 | 0.90 | SLC6A9 (0.30) | ROCK1SLC6A9MAPT | |
| SCHEMBL7081545 | 0.89 | CSNK2A2 (0.34) | SLC6A9TYMSLMNAALDH1A1L3MBTL1 | |
| SCHEMBL6975056 | 0.89 | ALDH1A1 (0.36) | ROCK2ALDH1A1L3MBTL1 | |
| SCHEMBL6974498 | 0.88 | SLC6A9 (0.35) | SLC6A9TYMSLMNAALDH1A1L3MBTL1 | |
| SCHEMBL7084827 | 0.87 | SLC6A9 (0.34) | SLC6A9ADORA2AADORA1ALDH1A1 | |
| SCHEMBL7084286 | 0.86 | MAPK13 (0.30) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL8109549 | 0.86 | MAPK14 (0.34) | ROCK1SLC6A9ROCK2MAPK13MAPK12 | |
| SCHEMBL7078284 | 0.85 | ROCK1 (0.33) | ROCK1SLC6A9ADORA3ADORA2AADORA2B |
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-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |