Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 10/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 2/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6969811 | 0.95 | GRIN1 (0.37) | GRIN1GRIN2BSRCENPP2CYP11B2 | |
| SCHEMBL7083464 | 0.93 | GRIN1 (0.39) | GRIN1GRIN2BSRCCYP11B2CYP17A1 | |
| SCHEMBL6975018 | 0.93 | GRIN1 (0.38) | GRIN1GRIN2BSRCENPP2CYP11B2 | |
| SCHEMBL6972991 | 0.91 | GRIN1 (0.38) | GRIN1GRIN2BCYP11B2 | |
| SCHEMBL6975612 | 0.90 | GRIN1 (0.35) | GRIN1GRIN2BENPP2CYP11B2CYP17A1 | |
| SCHEMBL8344845 | 0.89 | PKM (0.41) | GRIN1GRIN2BENPP2TBXA2R | |
| SCHEMBL7085996 | 0.89 | ALDH1A1 (0.39) | GRIN1GRIN2BSRC | |
| SCHEMBL6974887 | 0.89 | GRIN1 (0.39) | GRIN1GRIN2BSRCCYP11B2CYP17A1 | |
| SCHEMBL6962104 | 0.89 | GRIN1 (0.36) | GRIN1GRIN2BSRCCYP11B2TBXA2R | |
| SCHEMBL7081149 | 0.88 | TLR7 (0.39) | SRCENPP2 |
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 |