Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5002642 | 0.80 | HSD17B10 (0.47) | KDM4EALDH1A1RARGRXRAPPARG | |
| SCHEMBL28118962 | 0.77 | CTSD (0.50) | KDM4EALDH1A1GAACTSDMAPK1 | |
| SCHEMBL4999418 | 0.77 | ALDH1A1 (0.47) | KDM4EALDH1A1GAACTSDCA1 | |
| SCHEMBL24414092 | 0.73 | RARG (0.41) | ALDH1A1RARGRXRAPPARGMAPK1 | |
| SCHEMBL501296 | 0.71 | GAA (0.50) | KDM4EALDH1A1GAAPOLBMAPT | |
| SCHEMBL14924904 | 0.71 | KDM4E (0.43) | KDM4EALDH1A1GAAMAPTBCL2 | |
| SCHEMBL4999364 | 0.70 | CTSD (0.39) | KDM4EALDH1A1CTSDCA1CA2 | |
| SCHEMBL17356881 | 0.69 | MAPT (0.47) | KDM4EALDH1A1GAAPOLBMAPT | |
| SCHEMBL2722031 | 0.69 | HSD17B10 (0.65) | KDM4EALDH1A1GAACTSDSMN1; SMN2 | |
| SCHEMBL16638210 | 0.69 | PKM (0.51) | KDM4EALDH1A1GAAMAPK1POLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130116431-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-20130116252-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-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 | KDM4E 3055/4885ALDH1A1 873/4885GAA 836/4885 |
| US-20130116253-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | KDM4E 3055/4885ALDH1A1 873/4885GAA 836/4885 |
| US-20080269218-A1 | Novel Hsp90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | KDM4E 2991/4885ALDH1A1 1437/4885GAA 913/4885 |
| US-20130116251-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | KDM4E 3055/4885ALDH1A1 873/4885GAA 836/4885 |
| US-20130116431-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | KDM4E 3055/4885ALDH1A1 873/4885GAA 836/4885 |
“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.