Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 2/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7086281 | 0.90 | ENPP2 (0.38) | CYP3A4S1PR3ENPP2 | |
| SCHEMBL7078901 | 0.90 | ALDH1A1 (0.40) | CYP3A4S1PR3ENPP2 | |
| SCHEMBL6969306 | 0.90 | KMT2A (0.39) | CYP3A4S1PR3L3MBTL1 | |
| SCHEMBL6974505 | 0.90 | TOP2A (0.42) | TOP2ATOP2BENPP2EPHX1 | |
| SCHEMBL6967367 | 0.90 | ENPP2 (0.39) | TOP2ATOP2BCYP3A4S1PR3ENPP2 | |
| SCHEMBL6973746 | 0.90 | ALDH1A1 (0.37) | CYP3A4S1PR3ENPP2 | |
| SCHEMBL6976430 | 0.89 | HTT (0.34) | CYP3A4S1PR3 | |
| SCHEMBL7086385 | 0.89 | TLR7 (0.35) | CYP3A4S1PR3L3MBTL1 | |
| SCHEMBL6974914 | 0.88 | RXFP1 (0.39) | — | |
| SCHEMBL6973129 | 0.84 | ALDH1A1 (0.35) | CYP3A4S1PR3L3MBTL1 |
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 |