Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.48 |
| ▸ | DHFR | P00374 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4852808 | 0.88 | DHFR (0.52) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL1859066 | 0.87 | POLB (0.53) | HSP90AA1HSP90AB1DHFRMEN1ALDH1A1 | |
| SCHEMBL1857131 | 0.79 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL1858046 | 0.79 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1 | |
| SCHEMBL1855722 | 0.79 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1 | |
| SCHEMBL4310551 | 0.78 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL11980433 | 0.75 | GAA (0.46) | ALDH1A1KMT2A | |
| SCHEMBL1855267 | 0.74 | DHFR (0.53) | DHFRALDH1A1KMT2A | |
| SCHEMBL24377312 | 0.70 | MPO (0.41) | HSP90AA1HSP90AB1MEN1ALDH1A1KMT2A | |
| SCHEMBL19996855 | 0.70 | MPO (0.41) | HSP90AA1HSP90AB1MEN1ALDH1A1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1335920-B1 | COMPOSITIONS CONTAINING PURINE DERIVATIVES FOR BINDING TO HSP90 | SLOAN KETTERING INST CANCER (US) | 2013-04-03 | — | — | EP | disclosed |
| US-7439359-B2 | Small molecule compositions for binding to hsp90 | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2008-10-21 | — | — | US | disclosed |
| EP-1335920-A4 | SMALL MOLECULE COMPOSITIONS FOR BINDING TO HSP90 | SLOAN KETTERING INSTITUTEFOR C (US) | 2005-08-17 | — | — | EP | disclosed |
| US-20040102458-A1 | Small molecule compositions for binding to hsp90 | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2004-05-27 | — | — | US | disclosed |
| EP-1335920-A2 | SMALL MOLECULE COMPOSITIONS FOR BINDING TO HSP90 | Sloan-Kettering Institute For Cancer Research (US) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002036075-A2 | SMALL MOLECULE COMPOSITIONS FOR BINDING TO HSP90 | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2002-05-10 | — | — | WO | 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 (1 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-20040102458-A1 | Small molecule compositions for binding to hsp90 | HSP90AB1, ERBB2, HSP90AB2P | HSP90AA1 5/4885HSP90AB1 1/4885DHFR 2103/4885 |
“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.