Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL13727917 | 0.81 | — | — | |
| SCHEMBL10310085 | 0.77 | NOS3 (0.38) | PARP1NOS3NOS1NOS2KDM4E | |
| SCHEMBL951059 | 0.76 | NOS3 (0.41) | PARP1NOS3NOS1NOS2KDM4E | |
| SCHEMBL19788237 | 0.74 | CHRNB2 (0.40) | PARP1NOS3NOS1NOS2KDM4E | |
| SCHEMBL17553917 | 0.74 | VRK1 (0.35) | PARP1NOS3NOS1NOS2KDM4E | |
| SCHEMBL16919286 | 0.74 | NOS3 (0.41) | PARP1NOS3NOS1NOS2KDM4E | |
| SCHEMBL16421188 | 0.74 | PARP1 (0.33) | PARP1NOS3NOS1NOS2KDM4E | |
| SCHEMBL22919875 | 0.72 | — | — | |
| SCHEMBL19936158 | 0.72 | — | — | |
| SCHEMBL18948307 | 0.71 | PTGS2 (0.50) | PTGS2 |
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-2066631-A1 | PYRIDINE BORANE COMPLEXES | BASF SE (DE) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008034886-A1 | PYRIDINE BORANE COMPLEXES | BASF SE (DE) | 2008-03-27 | — | — | WO | disclosed |