Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | NOX4 | Q9NPH5 | 4/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYBB | P04839 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL6973903 | 0.92 | GRIN1 (0.38) | ALDH1A1AGTR1NOX4P2RX3GRIN1 | |
| SCHEMBL6973368 | 0.89 | ALDH1A1 (0.34) | ALDH1A1NOX4MEN1KMT2AGABRA1 | |
| SCHEMBL6960341 | 0.88 | S1PR3 (0.35) | ALDH1A1P2RX3GRIN1GRIN2BBRD4 | |
| SCHEMBL6969160 | 0.87 | ADRA1D (0.32) | ALDH1A1AGTR1NOX4P2RX3MEN1 | |
| SCHEMBL6969157 | 0.87 | ADRA1D (0.32) | ALDH1A1AGTR1NOX4P2RX3MEN1 | |
| SCHEMBL6967288 | 0.84 | GRIN1 (0.40) | NOX4GRIN1GRIN2BKMT2ABRD4 | |
| SCHEMBL6967722 | 0.83 | TDP1 (0.34) | MEN1KMT2AVDRTDP1 | |
| SCHEMBL6975001 | 0.83 | ALDH1A1 (0.33) | ALDH1A1AGTR1NOX4P2RX3GRIN1 | |
| SCHEMBL6976953 | 0.83 | ALDH1A1 (0.33) | ALDH1A1AGTR1NOX4P2RX3GRIN1 | |
| SCHEMBL6973761 | 0.81 | CFTR (0.44) | ALDH1A1MEN1KMT2AS1PR3CYP3A4 |
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 |