Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.32 |
| ▸ | CDC7 | O00311 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6974320 | 0.90 | MAPK14 (0.34) | ROCK2PRKACACYP3A4 | |
| SCHEMBL7081023 | 0.90 | TRPA1 (0.33) | — | |
| SCHEMBL6973795 | 0.88 | GSK3B (0.32) | GSK3BCDC7CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6968179 | 0.87 | CYP1A2 (0.33) | GSK3BCDC7CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6973409 | 0.85 | SLC6A4 (0.36) | ROCK2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6972752 | 0.85 | CDC7 (0.32) | GSK3BCDC7ROCK2 | |
| SCHEMBL6967186 | 0.84 | — | — | |
| SCHEMBL6967234 | 0.83 | TYMS (0.30) | — | |
| SCHEMBL6959024 | 0.83 | TYMS (0.30) | — | |
| SCHEMBL6960986 | 0.82 | GSK3B (0.32) | GSK3BCDC7ROCK2MAP4K4PIM1 |
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 |