Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 3/20 | 0.32 |
| ▸ | HTR6 | P50406 | 3/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6968293 | 0.94 | HSP90B1 (0.35) | HDAC1HDAC8ALDH1A1KDM4EMAPT | |
| SCHEMBL6976953 | 0.90 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTNPSR1TP53 | |
| SCHEMBL6965480 | 0.86 | POLB (0.44) | ALDH1A1KDM4EMAPTNPSR1CYP2C19 | |
| SCHEMBL6972378 | 0.86 | TP53 (0.35) | HDAC1HDAC8MAPTTHRBTP53 | |
| SCHEMBL7082531 | 0.84 | HRH1 (0.34) | HDAC1HDAC8ALDH1A1KDM4EMAPT | |
| SCHEMBL7086335 | 0.83 | POLB (0.34) | THRBLMNAHSP90B1TRAP1 | |
| SCHEMBL6970195 | 0.83 | TLR7 (0.35) | ALDH1A1KDM4EMAPTNPSR1TP53 | |
| SCHEMBL7079929 | 0.82 | GRM5 (0.38) | ALDH1A1KDM4EMAPTNPSR1THRB | |
| SCHEMBL6972502 | 0.82 | POLB (0.38) | ALDH1A1MAPTNPSR1TP53LMNA | |
| SCHEMBL6962277 | 0.82 | KMT2A (0.33) | HSP90B1TRAP1HTR6KMT2A |
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 |