Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7079929 | 0.92 | GRM5 (0.38) | ALDH1A1AGTR1HRH1MEN1KMT2A | |
| SCHEMBL7082531 | 0.92 | HRH1 (0.34) | ALDH1A1AGTR1HRH1MEN1KMT2A | |
| SCHEMBL6970195 | 0.90 | TLR7 (0.35) | ALDH1A1AGTR1HRH1MEN1KMT2A | |
| SCHEMBL6973657 | 0.90 | HDAC1 (0.35) | ALDH1A1HRH1MEN1KMT2ATP53 | |
| SCHEMBL6975001 | 0.90 | ALDH1A1 (0.33) | ALDH1A1AGTR1MEN1KMT2ATP53 | |
| SCHEMBL7081548 | 0.89 | BRD4 (0.36) | HRH1KMT2AALOX5APKDM4EGRIN1 | |
| SCHEMBL6968293 | 0.88 | HSP90B1 (0.35) | ALDH1A1MEN1KMT2ATP53KDM4E | |
| SCHEMBL6963974 | 0.88 | ALDH1A1 (0.37) | ALDH1A1HRH1TP53ALOX5APKDM4E | |
| SCHEMBL6969004 | 0.88 | CYP1A2 (0.33) | ALDH1A1AGTR1MEN1KMT2ATP53 | |
| SCHEMBL6974447 | 0.88 | MEN1 (0.34) | ALDH1A1AGTR1MEN1KMT2ATP53 |
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 |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |