Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 17/20 | 0.83 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.83 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.83 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 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 | |
|---|---|---|---|---|
| SCHEMBL12655972 | 1.00 | HSP90AA1 (0.83) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| SCHEMBL13221597 | 0.92 | HSP90AA1 (0.88) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13204564 | 0.92 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL254016 | 0.92 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13221536 | 0.92 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL12446217 | 0.92 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL254489 | 0.92 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL14748340 | 0.92 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL22496014 | 0.92 | HSP90AA1 (0.99) | HSP90AA1HSP90AB1PDGFRAERBB2ALDH1A1 | |
| Retaspimycin SCHEMBL13199500 | 0.92 | 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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2008128063-A1 | HYDROQUINONE ANSAMYCIN FORMULATIONS | INFINITY DISCOVERY, INC. (US) | 2008-10-23 | — | — | WO | disclosed |