Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | MLNR | O43193 | 17/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4590018 | 1.00 | XIAP (0.48) | XIAPMLNRCYP3A4PDE2AGRM2 | |
| SCHEMBL3172097 | 0.89 | KDM4E (0.55) | XIAPMLNR | |
| SCHEMBL2022959 | 0.83 | XIAP (0.40) | XIAPMLNRCYP3A4GRM2 | |
| SCHEMBL3165020 | 0.79 | MLNR (0.63) | MLNRCYP3A4GRM2 | |
| SCHEMBL3165269 | 0.79 | MLNR (0.63) | MLNRCYP3A4GRM2 | |
| SCHEMBL13308196 | 0.79 | MLNR (0.63) | MLNRCYP3A4GRM2 | |
| SCHEMBL2922854 | 0.79 | KDM4E (0.51) | — | |
| SCHEMBL19430953 | 0.77 | MLNR (0.64) | MLNRCYP3A4 | |
| SCHEMBL13727157 | 0.77 | PDE2A (0.53) | PDE2A | |
| SCHEMBL3179863 | 0.77 | MLNR (0.64) | MLNRCYP3A4 |
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-2008134035-A1 | ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |