Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 8/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL6966820 | 0.92 | GRIN1 (0.38) | S1PR3GRIN1GRIN2BGABRA1GABRG2 | |
| SCHEMBL7083143 | 0.89 | GABRA1 (0.34) | S1PR3GRIN1GRIN2BGABRA1GABRG2 | |
| SCHEMBL6969004 | 0.88 | CYP1A2 (0.33) | S1PR3GRIN1GRIN2BGABRA1GABRG2 | |
| SCHEMBL6973511 | 0.88 | S1PR3 (0.36) | S1PR3GRIN1GRIN2BALOX5APTLR9 | |
| SCHEMBL7078209 | 0.88 | S1PR3 (0.34) | S1PR3GRIN1GRIN2BALOX5APTLR9 | |
| SCHEMBL6969106 | 0.86 | HRH1 (0.36) | S1PR3GRIN1GRIN2BALOX5APTLR9 | |
| SCHEMBL6967358 | 0.86 | S1PR3 (0.35) | S1PR3GRIN1GRIN2BALOX5APTLR9 | |
| SCHEMBL6960222 | 0.86 | S1PR3 (0.36) | S1PR3GRIN1GRIN2BTLR7 | |
| SCHEMBL6960816 | 0.85 | S1PR3 (0.33) | S1PR3GRIN1GRIN2BALOX5APTLR9 | |
| SCHEMBL7079263 | 0.85 | SLC6A2 (0.41) | S1PR3GRIN1GRIN2BKDM4EALDH1A1 |
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 |