Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.35 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6972756 | 0.85 | TYMS (0.41) | TYMSALDH1A1DHFR | |
| SCHEMBL6162371 | 0.81 | TYMS (0.32) | TYMSDHFRHSP90B1 | |
| SCHEMBL6976926 | 0.81 | CDK4 (0.35) | TYMSALDH1A1DHFRHSP90B1 | |
| SCHEMBL7086500 | 0.80 | TYMS (0.32) | TYMSDHFRHSP90B1 | |
| SCHEMBL6559757 | 0.80 | TDP1 (0.36) | TYMSDHFRHSP90B1 | |
| SCHEMBL7078733 | 0.77 | HSP90B1 (0.32) | TYMSDHFRHSP90B1 | |
| SCHEMBL8344891 | 0.77 | TYMS (0.33) | TYMSDHFRHSP90B1 | |
| SCHEMBL8346651 | 0.77 | HSP90B1 (0.32) | TYMSDHFRHSP90B1 | |
| SCHEMBL6961954 | 0.76 | HSP90B1 (0.31) | HSP90B1 | |
| SCHEMBL6159222 | 0.76 | — | — |
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 |