Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL14925086 | 0.94 | ALDH1A1 (0.33) | CDK4CDK2CYP1A2ADRA2ACYP2D6 | |
| SCHEMBL4999439 | 0.84 | ESR1 (0.34) | — | |
| SCHEMBL5006006 | 0.83 | SCN9A (0.31) | — | |
| SCHEMBL5006155 | 0.81 | CDK4 (0.33) | CDK4CDK2 | |
| SCHEMBL5008304 | 0.79 | HSP90AA1 (0.31) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL5003239 | 0.79 | HSP90AA1 (0.41) | CDK4CDK2 | |
| SCHEMBL14925070 | 0.78 | ESR1 (0.33) | ALDH1A1 | |
| SCHEMBL14047897 | 0.74 | LMNA (0.30) | — | |
| SCHEMBL5002894 | 0.73 | CDK4 (0.36) | CDK4CDK2HIF1ASMN1; SMN2ALDH1A1 | |
| SCHEMBL14925087 | 0.73 | HSP90AA1 (0.30) | CYP1A2ADRA2ACYP2D6PKMADRA2B |
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 10 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-20130116251-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 |
| 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 | CDK4 1382/4885CDK2 1917/4885CYP1A2 1196/4885 |
| US-20130116253-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CDK4 1382/4885CDK2 1917/4885CYP1A2 1196/4885 |
| US-20080269218-A1 | Novel Hsp90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CDK4 1665/4885CDK2 1973/4885CYP1A2 1815/4885 |
| US-20130116251-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CDK4 1382/4885CDK2 1917/4885CYP1A2 1196/4885 |
| US-20130116431-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CDK4 1382/4885CDK2 1917/4885CYP1A2 1196/4885 |
“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.