Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.55 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.55 |
| ▸ | PFKFB3 | Q16875 | 6/20 | 0.55 |
| ▸ | AMY1A | P0DUB6 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3952031 | 0.84 | HSP90AA1 (0.78) | HSP90AA1HSP90AB1AMY1AKDM4EMAPT | |
| SCHEMBL4286846 | 0.77 | ALDH1A1 (0.55) | HSP90AA1HSP90AB1KDM4E | |
| SCHEMBL4429848 | 0.74 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1NPC1MAPT | |
| SCHEMBL6586882 | 0.74 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1KDM4ENPC1 | |
| SCHEMBL602372 | 0.74 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1KDM4ENPC1MAPT | |
| SCHEMBL21058542 | 0.73 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1KDM4EMAPT | |
| SCHEMBL21857400 | 0.73 | PFKFB3 (0.80) | PFKFB3 | |
| SCHEMBL21857402 | 0.73 | PFKFB3 (0.80) | PFKFB3 | |
| SCHEMBL13726091 | 0.72 | PFKFB3 (1.00) | PFKFB3 | |
| SCHEMBL5412742 | 0.72 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1PFKFB3PDCD1LG2CD274 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2702043-A1 | INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE | Exelixis, Inc. (US) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012149528-A1 | INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE | EXELIXIS, INC. (US) | 2012-11-01 | — | — | WO | disclosed |