Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL14293541 | 0.83 | — | — | |
| SCHEMBL4781804 | 0.76 | GPR119 (0.37) | — | |
| SCHEMBL14292741 | 0.73 | MIF (0.38) | — | |
| SCHEMBL4781141 | 0.71 | ESRRA (0.38) | LRRK2 | |
| SCHEMBL14293529 | 0.69 | MAP4K4 (0.31) | — | |
| SCHEMBL4781912 | 0.68 | HTT (0.36) | CYP1A2CYP2C19 | |
| SCHEMBL13436193 | 0.65 | FLT3 (0.34) | LRRK2 | |
| SCHEMBL14909053 | 0.64 | NOTUM (0.42) | CYP1A2CYP2C19 | |
| SCHEMBL4420775 | 0.63 | KDM4E (0.46) | — | |
| SCHEMBL14293540 | 0.62 | RXRA (0.34) | LRRK2 |
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-2008021388-A1 | HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS | KEMIA, INC. (US) | 2008-02-21 | — | — | WO | disclosed |