Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | DDO | Q99489 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | CCNK | O75909 | 1/20 | 0.31 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1502369 | 0.86 | FLT3 (0.37) | HSP90AA1NUDT1HRH4CCNKCDK12 | |
| SCHEMBL2596685 | 0.82 | HSP90AA1 (0.35) | HSP90AA1DAODDOKDM4EALDH1A1 | |
| SCHEMBL13280018 | 0.82 | DAO (0.34) | HSP90AA1DAODDOHSP90AB1KDM4E | |
| SCHEMBL931450 | 0.78 | ESR1 (0.36) | HSP90AA1HSP90AB1KDM4ELMNAMAPT | |
| SCHEMBL931385 | 0.77 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1KDM4EALDH1A1LMNA | |
| SCHEMBL443161 | 0.77 | KDM4E (0.32) | HSP90AA1HSP90AB1KDM4ELMNAMAPT | |
| SCHEMBL2596688 | 0.76 | KDM4E (0.38) | HSP90AA1HSP90AB1HTR6KDM4EALDH1A1 | |
| SCHEMBL3973855 | 0.76 | GRIN2D (0.34) | HSP90AA1DAODDONUDT1HTR6 | |
| SCHEMBL930607 | 0.74 | L3MBTL1 (0.39) | HSP90AA1HSP90AB1KDM4EALDH1A1LMNA | |
| SCHEMBL8930902 | 0.73 | GAA (0.34) | HSP90AA1HTR6KDM4ELMNAMAPT |
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-2011146801-A1 | FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS | SYNTA PHARMACEUTICALS CORP. (US) | 2011-11-24 | — | — | WO | claimed |
| EP-2295416-B1 | Triazole compounds that modulate HSP90 activity | SYNTA PHARMACEUTICALS CORP (US) | 2016-01-27 | — | — | EP | disclosed |
| WO-2011146801-A1 | FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS | SYNTA PHARMACEUTICALS CORP. (US) | 2011-11-24 | — | — | WO | disclosed |