Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 7/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.54 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30779696 | 0.93 | LRRK2 (0.60) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL5002610 | 0.93 | LRRK2 (0.60) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL14924969 | 0.89 | MEN1 (0.46) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL14924965 | 0.88 | MEN1 (0.45) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL20509703 | 0.82 | SMN1; SMN2 (0.56) | KMT2AMEN1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL30779603 | 0.82 | SMN1; SMN2 (0.56) | KMT2AMEN1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL5002701 | 0.82 | KMT2A (0.48) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL21644575 | 0.81 | HSD17B10 (0.57) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL30779559 | 0.81 | HSD17B10 (0.57) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL5006248 | 0.80 | KMT2A (0.46) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130116251-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-20130116253-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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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 | LRRK2 905/4885CYP3A4 2042/4885SLCO1B1 2661/4885 |
| US-20130116253-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | LRRK2 905/4885CYP3A4 2042/4885SLCO1B1 2661/4885 |
| US-20130116251-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | LRRK2 905/4885CYP3A4 2042/4885SLCO1B1 2661/4885 |
| US-20130116431-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | LRRK2 905/4885CYP3A4 2042/4885SLCO1B1 2661/4885 |
“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.