Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6967546 | 0.90 | IDO1 (0.38) | POLBKMT2A | |
| SCHEMBL6960986 | 0.88 | GSK3B (0.32) | GSK3BCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6973238 | 0.88 | CYP1A2 (0.33) | GSK3BCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6970549 | 0.87 | IDO1 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7078351 | 0.86 | SLC6A4 (0.36) | GSK3BGAACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6976919 | 0.83 | — | — | |
| SCHEMBL8109549 | 0.83 | MAPK14 (0.34) | GSK3BCYP3A4 | |
| SCHEMBL7081552 | 0.83 | PTPRA (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL7079911 | 0.83 | SLC2A1 (0.34) | POLBMEN1KMT2A | |
| Carbamic Acid SCHEMBL4573817 | 0.82 | CDC7 (0.33) | GSK3BCYP3A4 |
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 |