Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Retaspimycin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 known ✓ | P07900 | 17/20 | 0.99 |
| ▸ | HSP90AB1 known ✓ | P08238 | 9/20 | 0.99 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.99 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | RAF1 | P04049 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Retaspimycin SCHEMBL13199456 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13204564 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13221536 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL254489 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL14748340 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13222036 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13199500 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL12446217 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL22496014 | 1.00 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13077414 | 1.00 | 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8252779-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2012-08-28 | — | — | US | disclosed |
| US-20120108563-A1 | Methods Of Treating Liposarcoma | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-03 | — | — | US | disclosed |
| US-20120058982-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-8003634-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20110086110-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | INFINITY DISCOVERY, INC. (US) | 2011-04-14 | — | — | US | disclosed |
| US-7833997-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2010-11-16 | — | — | US | disclosed |
| US-7767662-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2010-08-03 | — | — | 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-7691840-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2010-04-06 | — | — | US | disclosed |
| US-7608613-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2009-10-27 | — | — | US | disclosed |
| US-7579337-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2009-08-25 | — | — | US | disclosed |
| US-20090209549-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | ADAMS JULIAN | 2009-08-20 | — | — | US | disclosed |
| US-20090208590-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | ADAMS JULIAN | 2009-08-20 | — | — | US | disclosed |
| US-7566706-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2009-07-28 | — | — | US | disclosed |
| US-20090088414-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | ADAMS JULIAN | 2009-04-02 | — | — | US | disclosed |
| US-20090069280-A1 | ANALOGS OF BENZOQUINONE-CONTAINING ANSAMYCINS AND METHODS OF USE THEREOF | ADAMS JULIAN | 2009-03-12 | — | — | US | disclosed |
| US-20090062250-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | INFINITY PHARMACEUTICALS, INC. | 2009-03-05 | — | — | US | disclosed |
| US-20080255080-A1 | Hydroquinone Ansamycin Formulations | INFINITY PHARMACEUTICALS, INC. | 2008-10-16 | — | — | US | disclosed |
| US-7375217-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2008-05-20 | — | — | US | disclosed |
| US-7361647-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2008-04-22 | — | — | 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 (9 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-20090088414-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885 |
| US-20120058982-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885 |
| US-20110086110-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885 |
| US-20090062250-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885 |
| US-20090208590-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885 |
| US-20080255080-A1 | Hydroquinone Ansamycin Formulations | HSP90B1, AAAS, NQO1 | HSP90AA1 4/4885HSP90AB1 5/4885PDGFRA 3734/4885 |
| US-20090209549-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885 |
| US-20120108563-A1 | Methods Of Treating Liposarcoma | HSP90AB1, HSP90AA1, HSP90B1 | HSP90AA1 2/4885HSP90AB1 1/4885PDGFRA 2343/4885 |
| US-20090069280-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.