Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 13/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 13/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6960341 | 0.92 | S1PR3 (0.35) | GRIN1GRIN2BS1PR3KDM4EBRD4 | |
| SCHEMBL6973368 | 0.89 | ALDH1A1 (0.34) | KDM4EBRD4NOX4KMT2A | |
| SCHEMBL6973903 | 0.89 | GRIN1 (0.38) | GRIN1GRIN2BKDM4EBRD4NOX4 | |
| SCHEMBL6969251 | 0.88 | GRIN1 (0.38) | GRIN1GRIN2BS1PR3NOX4KMT2A | |
| SCHEMBL6969252 | 0.88 | GRIN1 (0.38) | GRIN1GRIN2BS1PR3NOX4KMT2A | |
| SCHEMBL6973761 | 0.85 | CFTR (0.44) | S1PR3KDM4EKMT2A | |
| SCHEMBL6973236 | 0.84 | ALDH1A1 (0.35) | GRIN1GRIN2BS1PR3BRD4NOX4 | |
| SCHEMBL6969917 | 0.84 | GRIN1 (0.38) | GRIN1GRIN2BKDM4EKMT2A | |
| SCHEMBL6968637 | 0.84 | DHODH (0.34) | KMT2A | |
| SCHEMBL6967980 | 0.83 | GRIN1 (0.39) | GRIN1GRIN2BS1PR3KDM4EKMT2A |
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 3 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 |