Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 17/20 | 0.85 |
| ▸ | HSP90AB1 | P08238 | 8/20 | 0.85 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 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 | |
|---|---|---|---|---|
| SCHEMBL12017386 | 1.00 | HSP90AA1 (0.85) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL13215948 | 0.92 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL13037483 | 0.92 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL255010 | 0.92 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL140262 | 0.88 | HSP90AA1 (0.92) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL13037450 | 0.87 | HSP90AA1 (0.90) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL15160217 | 0.85 | HSP90AA1 (0.87) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL12656260 | 0.83 | HSP90AA1 (0.87) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL14370485 | 0.83 | HSP90AA1 (0.83) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 | |
| SCHEMBL140125 | 0.82 | HSP90AA1 (0.82) | HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1716119-B1 | Analogs of benzoquinone-containing ansamycins for the treatment of cancer | INFINITY DISCOVERY INC (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011060328-A1 | COMPOSITIONS, KITS, AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND THERAPY OF CANCER | INFINITY PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2010135426-A1 | METHODS OF TREATING LIPOSARCOMA | INFINITY PHARMACEUTICALS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| EP-1904057-B1 | HYDROQUINONE ANSAMYCINS IN THE TREATMENT OF GASTROINTESTINAL STROMAL TUMORS | INFINITY DISCOVERY INC (US) | 2009-12-16 | — | — | EP | disclosed |