Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK13 | Q9HB14 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL6961097 | 0.91 | GRIN1 (0.36) | KCNK13S1PR3GRIN1GRIN2B | |
| SCHEMBL6974051 | 0.89 | S1PR3 (0.33) | KCNK13S1PR3KCNH2ENPP2GRIN1 | |
| SCHEMBL7085908 | 0.88 | KCNH2 (0.35) | KCNH2TYMS | |
| SCHEMBL6973201 | 0.85 | KDM4E (0.36) | KCNK13S1PR3 | |
| SCHEMBL6972484 | 0.84 | ENPP2 (0.35) | S1PR3ENPP2 | |
| SCHEMBL6967184 | 0.83 | ENPP2 (0.31) | ENPP2 | |
| SCHEMBL6972748 | 0.83 | ENPP2 (0.35) | S1PR3ENPP2 | |
| SCHEMBL7085126 | 0.83 | ALDH1A1 (0.39) | KCNH2TYMS | |
| SCHEMBL6965346 | 0.83 | — | — | |
| SCHEMBL7083358 | 0.83 | KCNK13 (0.32) | KCNK13KCNH2TYMSENPP2GRIN1 |
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 |