Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6962497 | 0.93 | GRIN1 (0.39) | GRIN1GRIN2BIDO1S1PR3ALDH1A1 | |
| SCHEMBL6973187 | 0.89 | ALDH1A1 (0.39) | S1PR3ALDH1A1KDM4EPKMSMN1; SMN2 | |
| SCHEMBL6975519 | 0.89 | ALDH1A1 (0.41) | ALDH1A1KDM4EPKMSMN1; SMN2TDP1 | |
| SCHEMBL6964793 | 0.89 | MEN1 (0.33) | S1PR3ALDH1A1SMN1; SMN2 | |
| SCHEMBL7079752 | 0.86 | GRIN1 (0.37) | GRIN1GRIN2BIDO1S1PR3ALDH1A1 | |
| SCHEMBL6971953 | 0.86 | ALDH1A1 (0.41) | GRIN1GRIN2BALDH1A1KDM4EPKM | |
| SCHEMBL8800166 | 0.86 | GRIN1 (0.37) | GRIN1GRIN2BIDO1S1PR3NOX4 | |
| SCHEMBL6972580 | 0.84 | GRIN1 (0.36) | GRIN1GRIN2BIDO1S1PR3PKM | |
| SCHEMBL7087251 | 0.83 | S1PR3 (0.40) | GRIN1GRIN2BIDO1S1PR3 | |
| SCHEMBL6972739 | 0.83 | RXFP1 (0.37) | ALDH1A1KDM4ESMN1; SMN2 |
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 |