Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 3/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6974054 | 0.90 | GSK3B (0.32) | CYP3A4ROCK2PRKACA | |
| SCHEMBL7082933 | 0.88 | CSNK2A2 (0.38) | CYP3A4TYMSTP53SMN1; SMN2 | |
| SCHEMBL6973409 | 0.87 | SLC6A4 (0.36) | MAPK14MAPK13MAPK12MAPK11CYP3A4 | |
| SCHEMBL6969392 | 0.86 | CA2 (0.36) | HAO1TYMSSLC6A9CA2CA4 | |
| SCHEMBL7078284 | 0.86 | ROCK1 (0.33) | MAPK14MAPK13MAPK12MAPK11ROCK1 | |
| SCHEMBL7086505 | 0.85 | MAPK13 (0.30) | MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL8109549 | 0.83 | MAPK14 (0.34) | MAPK14MAPK13MAPK12MAPK11CYP17A1 | |
| SCHEMBL6968078 | 0.83 | ALOX5 (0.38) | CYP3A4ALOX5RAB9APDE4A | |
| SCHEMBL6961917 | 0.83 | HAO1 (0.38) | HAO1TYMSSLC6A9CA2CA4 | |
| SCHEMBL7081023 | 0.83 | TRPA1 (0.33) | MAPK14 |
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 |