Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
| ▸ | XPO1 | O14980 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6965336 | 0.90 | ALOX12 (0.39) | DHFRTYMS | |
| SCHEMBL7085176 | 0.87 | — | — | |
| SCHEMBL6961646 | 0.86 | TYMS (0.31) | TYMSXPO1 | |
| SCHEMBL6973863 | 0.86 | CDC7 (0.32) | — | |
| SCHEMBL7082599 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL6962616 | 0.83 | — | — | |
| SCHEMBL6974565 | 0.83 | DHFR (0.30) | DHFRTYMSXPO1 | |
| SCHEMBL7084364 | 0.81 | HSP90B1 (0.32) | DHFRTYMS | |
| SCHEMBL7086270 | 0.81 | CA2 (0.36) | TYMSXPO1 | |
| SCHEMBL6974133 | 0.78 | CACNA1C (0.36) | — |
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 |