Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6969917 | 0.91 | GRIN1 (0.38) | VDRGRIN1GRIN2BKMT2A | |
| SCHEMBL6967722 | 0.88 | TDP1 (0.34) | VDRMEN1KMT2AKCNH2 | |
| SCHEMBL6967171 | 0.88 | GRIN1 (0.41) | GRIN1GRIN2B | |
| SCHEMBL6960954 | 0.87 | KCNK13 (0.30) | GRIN1GRIN2B | |
| SCHEMBL6960949 | 0.87 | KCNK13 (0.30) | GRIN1GRIN2B | |
| SCHEMBL6964826 | 0.86 | VDR (0.36) | VDRMEN1KMT2A | |
| SCHEMBL6969927 | 0.83 | IDO1 (0.38) | VDRMEN1KMT2AKCNH2 | |
| SCHEMBL6974223 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL6971756 | 0.83 | S1PR3 (0.32) | VDRGRIN1GRIN2BMEN1KMT2A | |
| SCHEMBL6960341 | 0.82 | S1PR3 (0.35) | GRIN1GRIN2B |
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 |