Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7086281 | 0.94 | ENPP2 (0.38) | ENPP2S1PR3GRIN1GRIN2BCYP3A4 | |
| SCHEMBL7079752 | 0.91 | GRIN1 (0.37) | ENPP2S1PR3GRIN1GRIN2BIDO1 | |
| SCHEMBL6973746 | 0.90 | ALDH1A1 (0.37) | ENPP2S1PR3CYP3A4HDAC3HDAC4 | |
| SCHEMBL6974277 | 0.90 | GRIN1 (0.34) | ENPP2S1PR3GRIN1GRIN2BRORC | |
| SCHEMBL6967126 | 0.90 | GRIN1 (0.37) | ENPP2S1PR3GRIN1GRIN2BIDO1 | |
| SCHEMBL6961984 | 0.90 | ENPP2 (0.39) | ENPP2S1PR3LMNAMEN1KMT2A | |
| SCHEMBL6964229 | 0.90 | TOP2A (0.41) | ENPP2S1PR3CYP3A4TOP2ATOP2B | |
| SCHEMBL7078901 | 0.87 | ALDH1A1 (0.40) | ENPP2S1PR3GRIN1GRIN2BCYP3A4 | |
| SCHEMBL7082204 | 0.85 | GRIN1 (0.35) | ENPP2S1PR3GRIN1GRIN2BIDO1 | |
| SCHEMBL6974914 | 0.85 | RXFP1 (0.39) | ALDH1A1LMNAMEN1MAPTHTT |
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 |