Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7084364 | 0.88 | HSP90B1 (0.32) | TYMSHSP90B1DHFR | |
| SCHEMBL6972114 | 0.87 | LMNA (0.41) | CDK4CCND1CYP1A2TYMSALDH1A1 | |
| SCHEMBL6961050 | 0.85 | HSP90B1 (0.31) | HSP90B1 | |
| SCHEMBL6957839 | 0.84 | CYP1A2 (0.40) | CYP1A2ALDH1A1ALOX15 | |
| SCHEMBL6965300 | 0.83 | CYP1A2 (0.33) | CYP1A2TYMSALDH1A1ALOX15 | |
| SCHEMBL6961646 | 0.81 | TYMS (0.31) | TYMS | |
| SCHEMBL6968179 | 0.81 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL6969886 | 0.80 | HSP90B1 (0.30) | HSP90B1 | |
| SCHEMBL6961420 | 0.79 | DHFR (0.36) | CYP1A2ALDH1A1ALOX15DHFR | |
| SCHEMBL7087098 | 0.77 | TP53 (0.39) | CYP1A2TYMSALDH1A1DHFR |
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-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 |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |