Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL8344891 | 0.85 | TYMS (0.33) | TYMSHSP90B1DHFR | |
| SCHEMBL6559757 | 0.82 | TDP1 (0.36) | TYMSHSP90B1DHFR | |
| SCHEMBL6963010 | 0.81 | TYMS (0.36) | TYMSHSP90B1DHFR | |
| SCHEMBL6976926 | 0.80 | CDK4 (0.35) | TYMSHSP90B1DHFR | |
| SCHEMBL7086500 | 0.79 | TYMS (0.32) | TYMSHSP90B1DHFR | |
| SCHEMBL8346651 | 0.77 | HSP90B1 (0.32) | TYMSHSP90B1DHFR | |
| SCHEMBL7078733 | 0.77 | HSP90B1 (0.32) | TYMSHSP90B1DHFR | |
| SCHEMBL6973994 | 0.76 | TYMS (0.31) | TYMS | |
| SCHEMBL6961954 | 0.75 | HSP90B1 (0.31) | HSP90B1 | |
| SCHEMBL6159222 | 0.75 | — | — |
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-0893442-B1 | LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES | SHIONOGI & CO (JP) | 2005-01-12 | — | — | EP | disclosed |
| US-6054591-A | LYMPHOTROPIC ANTI-AIDS AGENT | SHIONOGI & CO., LTD. (JP) | 2000-04-25 | — | — | US | disclosed |
| EP-0893442-A1 | LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1999-01-27 | — | — | EP | disclosed |