Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 16/20 | 0.81 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.81 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.81 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL138856 | 0.95 | HSP90AA1 (0.73) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| SCHEMBL13221597 | 0.92 | HSP90AA1 (0.88) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| SCHEMBL12656246 | 0.90 | HSP90AA1 (0.83) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| SCHEMBL12655972 | 0.90 | HSP90AA1 (0.83) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13204564 | 0.90 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13199500 | 0.90 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL254489 | 0.90 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL22496014 | 0.90 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL14748340 | 0.90 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL12446217 | 0.90 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120058982-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-7767663-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2010-08-03 | — | — | US | disclosed |
| US-20090209549-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | ADAMS JULIAN | 2009-08-20 | — | — | 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 (2 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-20120058982-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885 |
| US-20090209549-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885 |
“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.