Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 11/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7082989 | 0.90 | GRIN1 (0.35) | GRIN1GRIN2BCYP11B2CYP17A1CYP3A4 | |
| SCHEMBL6974922 | 0.89 | POLB (0.41) | GRIN1GRIN2BCHRNB2CHRNA4PKM | |
| SCHEMBL6974887 | 0.89 | GRIN1 (0.39) | GRIN1GRIN2BCYP11B2CYP17A1CYP3A4 | |
| SCHEMBL7083464 | 0.89 | GRIN1 (0.39) | GRIN1GRIN2BCYP11B2CYP17A1CYP3A4 | |
| SCHEMBL7085922 | 0.88 | CHRNB2 (0.42) | CHRNB2CHRNA4TLR7 | |
| SCHEMBL6972991 | 0.87 | GRIN1 (0.38) | GRIN1GRIN2BCYP11B2TLR7 | |
| SCHEMBL6961326 | 0.87 | GRIN1 (0.39) | GRIN1GRIN2BCYP11B2 | |
| SCHEMBL6975548 | 0.87 | GRIN1 (0.38) | GRIN1GRIN2BCYP11B2CYP17A1CYP3A4 | |
| SCHEMBL7083193 | 0.86 | GRIN1 (0.38) | GRIN1GRIN2BCYP11B2CYP17A1CYP3A4 | |
| SCHEMBL6969811 | 0.85 | GRIN1 (0.37) | GRIN1GRIN2BCYP11B2TLR7 |
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 |