Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 3/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.34 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5002654 | 0.90 | HSP90AA1 (0.39) | MAP4K1HSP90AA1MEN1ALDH1A1KMT2A | |
| SCHEMBL14047900 | 0.89 | CHKA (0.37) | CHKATGFBR1ACVR1MAP4K1KDM4E | |
| SCHEMBL5006534 | 0.85 | CHKA (0.35) | CHKATGFBR1ACVR1MAP4K1KDM4E | |
| SCHEMBL5008465 | 0.83 | TGFBR1 (0.41) | CHKATGFBR1ACVR1KDM4ECCR5 | |
| SCHEMBL5003248 | 0.82 | POLB (0.38) | CHKATGFBR1ACVR1MAP4K1KDM4E | |
| SCHEMBL4999229 | 0.82 | HSP90AB1 (0.49) | HSP90AA1HSP90AB1MAP3K11 | |
| SCHEMBL14924996 | 0.82 | CCR5 (0.39) | CHKATGFBR1ACVR1KDM4ECCR5 | |
| SCHEMBL5006532 | 0.82 | TLR8 (0.43) | HSP90AA1HSP90AB1NPC1TP53RAB9A | |
| SCHEMBL14048107 | 0.79 | HSP90AA1 (0.39) | MAP4K1HSP90AA1 | |
| SCHEMBL5002986 | 0.76 | HSP90AA1 (0.39) | 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 15 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-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-20130116251-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-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 |
| 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-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 | CHKA 3165/4885TGFBR1 2914/4885ACVR1 4745/4885 |
| US-20130116253-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CHKA 3165/4885TGFBR1 2914/4885ACVR1 4745/4885 |
| US-20080269218-A1 | Novel Hsp90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CHKA 2997/4885TGFBR1 3197/4885ACVR1 4771/4885 |
| US-20130116251-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CHKA 3165/4885TGFBR1 2914/4885ACVR1 4745/4885 |
| US-20130116431-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CHKA 3165/4885TGFBR1 2914/4885ACVR1 4745/4885 |
“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.