Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 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 | |
|---|---|---|---|---|
| SCHEMBL7079263 | 0.92 | SLC6A2 (0.41) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL7083143 | 0.89 | GABRA1 (0.34) | CYP1A2CYP2D6CYP2C19TSHRS1PR3 | |
| SCHEMBL6973323 | 0.88 | S1PR3 (0.34) | KDM4ES1PR3ALDH1A1GABRA1GABRA5 | |
| SCHEMBL6976953 | 0.88 | ALDH1A1 (0.33) | KDM4ES1PR3ALDH1A1AGTR1GABRA1 | |
| SCHEMBL6975001 | 0.88 | ALDH1A1 (0.33) | TDP1ALDH1A1AGTR1GABRA1GABRA5 | |
| SCHEMBL6974447 | 0.86 | MEN1 (0.34) | TDP1KDM4ES1PR3ALDH1A1AGTR1 | |
| SCHEMBL7082928 | 0.86 | HRH1 (0.36) | CYP1A2CYP2C19KDM4ES1PR3ALDH1A1 | |
| SCHEMBL7082531 | 0.86 | HRH1 (0.34) | CYP1A2CYP2C19KDM4ES1PR3ALDH1A1 | |
| SCHEMBL6973470 | 0.85 | PIK3CD (0.33) | KDM4EALDH1A1AGTR1GABRA1GABRA5 | |
| SCHEMBL6970195 | 0.85 | TLR7 (0.35) | TDP1KDM4EALDH1A1AGTR1NOX4 |
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 |