Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.32 |
| ▸ | VEGFA | P15692 | 2/20 | 0.32 |
| ▸ | ARNT | P27540 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | GPR35 | Q9HC97 | 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 | |
|---|---|---|---|---|
| SCHEMBL508819 | 0.89 | KCNH2 (0.47) | KCNH2CYP3A4MAPTRIPK1ENPP3 | |
| SCHEMBL14540763 | 0.89 | MAPT (0.39) | KCNH2MAPTENPP3ALPLENPP1 | |
| SCHEMBL508348 | 0.85 | ENPP3 (0.45) | KCNH2CYP3A4MAPTRIPK1ENPP3 | |
| SCHEMBL4715260 | 0.77 | KCNH2 (0.51) | KCNH2CYP3A4MAPTEPAS1VEGFA | |
| SCHEMBL508806 | 0.77 | MAPT (0.41) | KCNH2MAPTENPP3ALPLENPP1 | |
| SCHEMBL4716327 | 0.77 | ENPP3 (0.43) | KCNH2CYP3A4ENPP3ALPLENPP1 | |
| SCHEMBL508808 | 0.77 | CYP3A4 (0.38) | KCNH2CYP3A4EPAS1VEGFACYP2C9 | |
| SCHEMBL14303592 | 0.74 | KCNH2 (0.44) | KCNH2CYP3A4MAPTENPP3ALPL | |
| SCHEMBL509734 | 0.72 | ENPP3 (0.52) | MAPTENPP3ALPLENPP1XIAP | |
| SCHEMBL509286 | 0.72 | EPAS1 (0.40) | CYP3A4ENPP3ALPLENPP1XIAP |
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-1377556-B1 | PYRAZOLE DERIVATIVES FOR TREATING HIV | PFIZER LTD (GB) | 2007-04-04 | — | — | EP | disclosed |
| EP-1762567-A1 | Pyrazole derivatives for treating HIV | Pfizer Limited (GB) | 2007-03-14 | — | — | EP | disclosed |