Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 16/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 14/20 | 0.38 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.38 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 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 | |
|---|---|---|---|---|
| SCHEMBL5002943 | 0.87 | ABL1 (0.39) | CYP2D6ABL1SRCPDGFRB | |
| SCHEMBL14029979 | 0.85 | HSP90AA1 (0.42) | CYP1A2CYP2D6MAPK1HSP90AA1HSP90AB1 | |
| SCHEMBL5003564 | 0.82 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL5003239 | 0.82 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL5008867 | 0.79 | CYP1A2 (0.39) | CYP1A2CYP2D6MAPK1HSP90AA1HSP90AB1 | |
| SCHEMBL5006455 | 0.77 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL5025913 | 0.71 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL5002643 | 0.71 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL5054176 | 0.69 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL4999421 | 0.67 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130116252-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | US | disclosed |
| US-20130116253-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | US | disclosed |
| US-20130116253-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | US | disclosed |
| US-20130116252-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | US | disclosed |
| US-20130116431-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | US | disclosed |
| US-20130116431-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | US | disclosed |
| US-20130116251-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | US | disclosed |
| US-20130116251-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | US | disclosed |
| EP-1857446-B1 | Derivatives of 3-(2,4-dihydroxyphenyl)-1,2,4-triazole useful in the treatment of cancer | NIPPON KAYAKU KK (JP) | 2013-05-01 | — | — | EP | disclosed |
| US-8399464-B2 | using a triazole compound; anticancer agent | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-03-19 | — | — | US | disclosed |
| US-8399464-B2 | using a triazole compound; anticancer agent | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-03-19 | — | — | US | disclosed |
| US-20080269218-A1 | Novel Hsp90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2008-10-30 | — | — | US | disclosed |
| US-20080269218-A1 | Novel Hsp90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2008-10-30 | — | — | US | disclosed |
| EP-1857446-A1 | NOVEL HSP90 INHIBITOR | Nippon Kayaku Kabushiki Kaisha (JP) | 2007-11-21 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130116252-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CYP1A2 1196/4885CYP2D6 1884/4885MAPK1 287/4885 |
| US-20130116253-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CYP1A2 1196/4885CYP2D6 1884/4885MAPK1 287/4885 |
| US-20080269218-A1 | Novel Hsp90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CYP1A2 1815/4885CYP2D6 2615/4885MAPK1 512/4885 |
| US-20130116251-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CYP1A2 1196/4885CYP2D6 1884/4885MAPK1 287/4885 |
| US-20130116431-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CYP1A2 1196/4885CYP2D6 1884/4885MAPK1 287/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.