Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4D | Q6B0I6 | 7/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1700278 | 0.79 | CTSK (0.57) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL1700277 | 0.79 | CTSK (0.57) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL1700451 | 0.79 | CTSK (0.57) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL29998443 | 0.79 | KDM4D (0.42) | CTSKHSD11B1CYP2C9KDM4D | |
| SCHEMBL29998127 | 0.79 | KDM4D (0.42) | CTSKKDM4D | |
| SCHEMBL29997879 | 0.79 | KDM4D (0.42) | CTSKHSD11B1CYP2C9KDM4D | |
| SCHEMBL26915947 | 0.79 | KDM4D (0.42) | CTSKKDM4D | |
| SCHEMBL29997814 | 0.79 | KDM4D (0.42) | CTSKHSD11B1CYP2C9KDM4D | |
| SCHEMBL29998668 | 0.79 | KDM4D (0.42) | CTSKKDM4D | |
| SCHEMBL27219068 | 0.79 | KDM4D (0.42) | CTSKKDM4D |
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-2585447-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |