Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL6967834 | 0.89 | CYP4F2 (0.30) | — | |
| SCHEMBL6968122 | 0.87 | MEN1 (0.36) | SLC6A9GAANPSR1NOTUMMAOA | |
| SCHEMBL6963980 | 0.86 | SLC6A9 (0.35) | SLC6A9CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6966771 | 0.83 | HSP90AA1 (0.39) | CYP2C9CYP2C19CYP2D6TP53ALDH1A1 | |
| SCHEMBL8805718 | 0.83 | SLC6A9 (0.34) | SLC6A9CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6962728 | 0.82 | CYP1A2 (0.40) | SLC6A9CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6963163 | 0.81 | GRIN1 (0.36) | SLC6A9CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6968977 | 0.80 | CYP1A2 (0.35) | SLC6A9CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6973156 | 0.80 | S1PR3 (0.38) | SLC6A9MAPTKMT2A | |
| SCHEMBL7087407 | 0.79 | RECQL (0.30) | — |
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 |