Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.32 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5316006 | 0.86 | ESR2 (0.39) | HSP90AA1HSP90AB1ESR1ESR2 | |
| SCHEMBL22445538 | 0.80 | KDM4E (0.41) | NAMPT | |
| SCHEMBL29084829 | 0.76 | HDAC1 (0.49) | NAMPTESR2HDAC1 | |
| SCHEMBL30585116 | 0.76 | HDAC1 (0.49) | NAMPTESR2HDAC1 | |
| SCHEMBL23856225 | 0.75 | NOTUM (0.53) | HSP90AA1HSP90AB1ESR1ESR2 | |
| SCHEMBL30063573 | 0.75 | NOTUM (0.53) | HSP90AA1HSP90AB1ESR1ESR2 | |
| SCHEMBL28892710 | 0.75 | SLC6A9 (0.36) | NAMPT | |
| SCHEMBL8203715 | 0.74 | HTR3A (0.48) | HSP90AA1HDAC2 | |
| SCHEMBL8195601 | 0.73 | KMO (0.51) | NAMPT | |
| SCHEMBL23856219 | 0.73 | KEAP1 (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008033389-A2 | MACROCYCLIC HCV INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2008-03-20 | — | — | WO | disclosed |