Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.31 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | XIAP | P98170 | 1/20 | 0.31 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6957969 | 0.93 | HTR3E (0.35) | ADRA1DALDH1A1AGTR1HRH4TP53 | |
| SCHEMBL6973295 | 0.89 | HRH4 (0.34) | TLR7ALDH1A1HRH4TP53GRIN2D | |
| SCHEMBL6973165 | 0.89 | S1PR3 (0.34) | TLR7S1PR3ALDH1A1HRH4GRIN2D | |
| SCHEMBL6976953 | 0.88 | ALDH1A1 (0.33) | ADRA1DHSP90B1TRAP1TLR7S1PR3 | |
| SCHEMBL6975001 | 0.88 | ALDH1A1 (0.33) | ADRA1DHSP90B1TRAP1TLR7ALDH1A1 | |
| SCHEMBL7082531 | 0.86 | HRH1 (0.34) | ADRA1DHSP90B1TRAP1TLR7S1PR3 | |
| SCHEMBL7082928 | 0.86 | HRH1 (0.36) | ADRA1DHSP90B1TRAP1TLR7S1PR3 | |
| SCHEMBL6960591 | 0.85 | PIM1 (0.33) | HSP90B1TRAP1MEN1KMT2A | |
| SCHEMBL6962934 | 0.85 | MEN1 (0.39) | ADRA1DS1PR3ALDH1A1TP53XIAP | |
| SCHEMBL7078156 | 0.85 | GRIN1 (0.36) | S1PR3ALDH1A1HRH4GRIN2DGRIN3B |
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 |