Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL14678180 | 0.84 | HSP90AA1 (0.40) | HSP90AA1P2RX7KCNH3CYP2D6 | |
| SCHEMBL27791197 | 0.83 | — | — | |
| SCHEMBL532604 | 0.80 | HSP90AA1 (0.35) | HSP90AA1P2RX7FAAHKCNH3NAMPT | |
| SCHEMBL10187739 | 0.77 | P2RX7 (0.41) | HSP90AA1P2RX7FAAHKCNH3CYP2D6 | |
| SCHEMBL8051975 | 0.75 | — | — | |
| SCHEMBL4661605 | 0.75 | — | — | |
| SCHEMBL45811 | 0.75 | — | — | |
| SCHEMBL28985180 | 0.73 | HRH1 (0.50) | — | |
| SCHEMBL10810253 | 0.73 | HRH1 (0.50) | — | |
| SCHEMBL28985167 | 0.73 | HRH1 (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-2011036505-A1 | NEW 6-SUBSTITUTED PYRIMIDINE DERIVATIVES | Sveučilište u Zagrebu (HR) | 2011-03-31 | — | — | WO | disclosed |