Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL7082204 | 0.93 | GRIN1 (0.35) | GRIN1GRIN2BIDO1S1PR3ENPP2 | |
| SCHEMBL6974966 | 0.92 | GRIN1 (0.36) | GRIN1GRIN2BIDO1S1PR3ENPP2 | |
| SCHEMBL7079752 | 0.91 | GRIN1 (0.37) | GRIN1GRIN2BIDO1S1PR3ENPP2 | |
| SCHEMBL7084562 | 0.90 | KDM4E (0.37) | S1PR3ENPP2HDAC1HDAC8PTGDR2 | |
| SCHEMBL6969213 | 0.90 | ENPP2 (0.35) | ENPP2MEN1KMT2A | |
| SCHEMBL6970826 | 0.88 | GRIN1 (0.35) | GRIN1GRIN2BIDO1S1PR3ENPP2 | |
| SCHEMBL6973501 | 0.87 | LMNA (0.40) | GRIN1GRIN2BENPP2PKM | |
| SCHEMBL7086211 | 0.87 | ALDH1A1 (0.39) | GRIN1GRIN2BMEN1KMT2A | |
| SCHEMBL6975018 | 0.87 | GRIN1 (0.38) | GRIN1GRIN2BIDO1S1PR3ENPP2 | |
| SCHEMBL6960775 | 0.86 | GRIN1 (0.35) | GRIN1GRIN2BIDO1S1PR3NAMPT |
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 |